SCHEMBL4593871

SCHEMBL4593871

CN1[C@@H]2CC[C@H]1CC(c1ccc(Cl)c(Cl)c1)C2

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.57
SLC6A2 P23975 8/20 0.57
CHRM1 P11229 1/20 0.57
SLC6A3 Q01959 10/20 0.53
KCNH2 Q12809 3/20 0.53
CYP2D6 P10635 3/20 0.49

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
SCHEMBL4593873 1.00 SLC6A4 (0.57) SLC6A4SLC6A2CHRM1SLC6A3KCNH2
SCHEMBL7560904 0.80 SLC6A2 (0.58) SLC6A4SLC6A2CHRM1SLC6A3CYP2D6
SCHEMBL7560909 0.80 SLC6A2 (0.58) SLC6A4SLC6A2CHRM1SLC6A3CYP2D6
SCHEMBL9870878 0.75 SLC6A2 (0.58) SLC6A4SLC6A2CHRM1SLC6A3KCNH2
SCHEMBL9422709 0.75 SLC6A3 (0.61) SLC6A4SLC6A2SLC6A3
SCHEMBL9422708 0.75 SLC6A3 (0.61) SLC6A4SLC6A2SLC6A3
SCHEMBL8106540 0.75 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3
SCHEMBL8205042 0.74 SLC6A2 (0.56) SLC6A4SLC6A2SLC6A3
SCHEMBL7352894 0.74 SLC6A2 (0.56) SLC6A4SLC6A2SLC6A3
SCHEMBL10194861 0.74 SLC6A2 (0.56) SLC6A4SLC6A2SLC6A3

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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-1686965-A2 SOLID PHARMACEUTICAL PREPARATION FORM Boehringer Ingelheim International GmbH (DE) 2006-08-09 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-2005070427-A1 COMPOUNDS FOR THE SUSTAINED REDUCTION OF BODY WEIGHT NEUROSEARCH A/S (DK) 2005-08-04 WO disclosed
WO-2005070429-A1 PHARMACEUTICAL COMPOSITION COMPRISING A MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITOR AND AN N-METHYL-D-ASPARTATE (NMDA) RECEPTORS ANTAGONIST NEUROSEARCH A/S (DK) 2005-08-04 WO disclosed
WO-2005070428-A1 PHARMACEUTICAL COMPOSITION COMPRISING A MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITOR AND A DOPAMINE AGONIST BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-08-04 WO disclosed
WO-2005049024-A2 SOLID PHARMACEUTICAL PREPARATION FORM BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-06-02 WO 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-1397358-A1 TROPANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2004-03-17 EP disclosed
WO-2002102801-A1 TROPANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2002-12-27 WO disclosed