SCHEMBL4593876

SCHEMBL4593876

CN1[C@@H]2CCC[C@@]1(c1ccc(Cl)c(Cl)c1)CC2

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 16/20 0.50
SLC6A3 Q01959 16/20 0.50
SLC6A2 P23975 8/20 0.50
CYP2D6 P10635 6/20 0.50
KCNH2 Q12809 6/20 0.50
CYP2C19 P33261 5/20 0.50
CYP3A4 P08684 4/20 0.50
CYP1A1 P04798 4/20 0.50
CYP1A2 P05177 4/20 0.50
CYP2C9 P11712 2/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30580699 0.83 HSD11B1 (0.37) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2
SCHEMBL27422130 0.78 OPRM1 (0.34)
SCHEMBL7458612 0.78 OPRM1 (0.34)
SCHEMBL7806789 0.78 SLC6A3 (0.44) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2
SCHEMBL7993777 0.78 SLC6A4 (0.41) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2
SCHEMBL4781128 0.77 HSD11B1 (0.34) SLC6A4
SCHEMBL27422134 0.77 HSD11B1 (0.34) SLC6A4
SCHEMBL8812050 0.77 OPRM1 (0.36) SLC6A4SLC6A3SLC6A2
SCHEMBL4669798 0.75 OPRK1 (0.38) SLC6A4SLC6A3SLC6A2
SCHEMBL6574843 0.69 SLC6A4 (0.42) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453511-A1 TROPANE DERIVATIVES HAVING DOPAMINE REUPTAKE INHIBITOR ACTIVITY FOR THE TREATMENT OF ISCHEMIC DISEASES NEUROSEARCH A/S (DK) 2004-09-08 EP claimed
WO-2003045388-A1 TROPANE DERIVATIVES HAVING DOPAMINE REUPTAKE INHIBITOR ACTIVITY FOR THE TREATMENT OF ISCHEMIC DISEASES NEUROSEARCH A/S (DK) 2003-06-05 WO claimed
EP-1940404-A2 PHARMACEUTICAL COMPOSITION COMPRISING 2,3-DISUBSTITUTED TROPANES FOR THE TREATMENT OF DISORDERS OF SEXUAL DESIRE Boehringer Ingelheim International GmbH (DE) 2008-07-09 EP disclosed
WO-2007028770-A1 MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS FOR NEUROPROTECTION IN PATIENTS SUFFERING FROM AN ADVANCED STAGE OF A MENTAL DISEASE NEUROSEARCH A/S (DK) 2007-03-15 WO disclosed
WO-2007028769-A1 MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITOR FOR NEUROPROTECTION NEUROSEARCH A/S (DK) 2007-03-15 WO disclosed
EP-1755602-A1 MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITOR FOR THE INHIBITION OF BETA-AMYLOID (A BETA 40 AND A BETA 42) GENERATION NEUROSEARCH A/S (DK) 2007-02-28 EP disclosed
WO-2007006738-A2 PHARMACEUTICAL COMPOSITION COMPRISING 2 , 3-DISUBSTITUTED TROPANES FOR THE TREATMENT OF DISORDERS OF SEXUAL DESIRE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-18 WO disclosed
EP-1727547-A1 COMPOUNDS FOR THE SUSTAINED REDUCTION OF BODY WEIGHT NEUROSEARCH A/S (DK) 2006-12-06 EP disclosed
EP-1708706-A1 PHARMACEUTICAL COMPOSITION COMPRISING A MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITOR AND A DOPAMINE AGONIST BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-11 EP disclosed
EP-1708707-A1 PHARMACEUTICAL COMPOSITION COMPRISING A MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITOR AND AN N-METHYL-D-ASPARTATE (NMDA) RECEPTORS ANTAGONIST NEUROSEARCH A/S (DK) 2006-10-11 EP disclosed
EP-1675591-A1 PHARMACEUTICAL COMPOSITION COMPRISING A MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITOR AND AN ACETYLCHOLINESTERASE INHIBITOR NEUROSEARCH A/S (DK) 2006-07-05 EP disclosed
WO-2005039580-A1 PHARMACEUTICAL COMPOSITION COMPRISING A MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITOR AND AN ACETYLCHOLINESTERASE INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-06 WO disclosed
EP-1429811-A1 THEURAPEUTIC TROPANE COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2004-06-23 EP disclosed
EP-1397358-A1 TROPANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2004-03-17 EP disclosed
WO-2003015830-A1 THEURAPEUTIC TROPANE COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2003-02-27 WO disclosed
WO-2002102801-A1 TROPANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2002-12-27 WO disclosed
US-6395748-B2 Use treating Alzheimer's disease; monoamine reuptake inhibitor tropanes such as tesofensine (2-methoxymethyl-3-(3,4-dichlorophenyl)-tropane) NEUROSEARCH A/S (DK) 2002-05-28 US disclosed
US-6288079-B1 MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS; NERVOUS SYSTEM, PSYCHOLOGICAL, EATING, SLEEP, AND BRAIN DISORDERS; ALZHEIMER*S AND PARKINSON*S DISEASE; TESOFENSINE (2-ethoxymethyl-3-(3,4-dichlorophenyl)-tropane) NEUROSEARCH A/S (DK) 2001-09-11 US disclosed
EP-0885220-A1 TROPANE-DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 1998-12-23 EP disclosed
WO-1997030997-A1 TROPANE-DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 1997-08-28 WO disclosed