SCHEMBL974744

SCHEMBL974744

Cc1ccc(S(=O)(=O)OC(=O)C2(c3ccccc3)CCNCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.59
CYP2C19 P33261 1/20 0.48
OPRD1 P41143 3/20 0.40
OPRK1 P41145 3/20 0.40
SLC22A1 O15245 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
KCNH2 Q12809 1/20 0.40
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC1 Q13547 1/20 0.39
APOBEC3A P31941 2/20 0.38
APOBEC3G Q9HC16 2/20 0.38
MMP3 P08254 1/20 0.38
MMP10 P09238 1/20 0.38
HTR6 P50406 1/20 0.38

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
SCHEMBL7751916 0.83 OPRM1 (0.56) OPRM1CYP2C19OPRD1OPRK1SLC22A1
SCHEMBL378736 0.80 CYP2C19 (0.63) OPRM1CYP2C19LMNAMEN1KMT2A
SCHEMBL6860652 0.78 CYP2C19 (0.51) OPRM1CYP2C19LMNAMEN1KMT2A
SCHEMBL7751891 0.76 OPRM1 (0.41) OPRM1CYP2C19MEN1KMT2AMMP3
SCHEMBL4947466 0.75 OPRM1 (0.52) OPRM1CYP2C19MEN1KMT2AHDAC1
SCHEMBL378799 0.75 OPRM1 (0.70) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Normeperidine SCHEMBL341796 0.74 OPRM1 (1.00) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Hydrochloric Acid SCHEMBL2636222 0.74 OPRM1 (0.68) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL27980589 0.73 SOS1 (0.44) KCNH2LMNAMMP3MMP10
Normeperidine SCHEMBL8177568 0.73 OPRM1 (0.97) OPRM1OPRD1OPRK1SLC22A1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102356065-B Piperidine derivatives as NK3 receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2014-10-01 CN disclosed
US-8754073-B2 Substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 US disclosed
US-8664216-B2 Spiro-5,6-dihydro-4H-2,3,5,10b-tetraaza-benzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2014-03-04 US disclosed
US-8383821-B2 NK-1 and serotonin transporter inhibitors BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-02-26 US disclosed
EP-2228065-B1 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB CO (US) 2012-12-26 EP disclosed
EP-2356123-B1 SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES HOFFMANN LA ROCHE (CH) 2012-10-03 EP disclosed
EP-1501467-B1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2012-05-09 EP disclosed
EP-2371366-A1 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed
US-8026257-B2 Substituted heterocyclic ethers and their use in CNS disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-27 US disclosed
EP-2356123-A1 SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES F. Hoffmann-La Roche AG (CH) 2011-08-17 EP disclosed
US-5830906-A Piperidine derivatives, process for obtaining them and pharmaceutical compositions containing them SANOFI (FR) 1998-11-03 US disclosed
US-5824690-A TREATING ASTHMA, COUGH HOECHST MARION ROUSSEL INC. (US) 1998-10-20 US disclosed
US-5780466-A DISORDERS ASSOCIATED WITH EXCESS TACHYKININS AND ALL NEUROKININ-DEPENDENT DISORDERS; ANALGESICS; RESPIRATORY, GASTROINTESTINAL, UROGENTIAL, IMMUNE, CARDIOVASCULAR AND CNS DISORDERS SANOFI (FR) 1998-07-14 US disclosed
US-5767131-A TREATMENT OF BENIGN PROSTATIC HYPERPLASIA, INHIBITION OF CHOLESTEROL SYNTHESIS, LOWERING OF INTRAOCULAR PRESSURE; ALPHA-ADRENERGIC RECEPTOR DISEASES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-06-16 US disclosed
US-5741910-A PIPERIDINE DERIVATIVE INTERMEDIATES SANOFI (FR) 1998-04-21 US disclosed
WO-1997042956-A1 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-11-20 WO disclosed
EP-0790826-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-08-27 EP disclosed
US-5641777-A NEUROKININ RECEPTOR ANTAGONIST SANOFI (FR) 1997-06-24 US disclosed
WO-1996014846-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-05-23 WO disclosed
WO-1994022829-A2 DIHYDROPYRIDINES AND NEW USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1994-10-13 WO disclosed