SCHEMBL2487789

SCHEMBL2487789

O/N=C\C1CCC(C(c2ccccc2)N2CCCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.48
OPRD1 P41143 3/20 0.48
OPRK1 P41145 3/20 0.48
OPRL1 P41146 3/20 0.48
CACNA2D1 P54289 5/20 0.40
CACNA1B Q00975 5/20 0.40
CACNB1 Q02641 5/20 0.40
CYP1A2 P05177 4/20 0.40
CYP3A4 P08684 4/20 0.40
CYP2D6 P10635 4/20 0.40
CYP2C9 P11712 4/20 0.40
KCNA5 P22460 4/20 0.40
CYP2C19 P33261 4/20 0.40
KCNH2 Q12809 4/20 0.40
CACNA1C Q13936 4/20 0.40
KCNE1 P15382 1/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36

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
SCHEMBL644070 1.00 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL644069 1.00 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL644623 0.88 OPRM1 (0.42) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL2489076 0.88 OPRM1 (0.42) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL644622 0.88 OPRM1 (0.42) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL645187 0.81 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL644006 0.78 OPRM1 (0.51) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL643066 0.77 OPRM1 (0.50) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL7054929 0.77 OPRM1 (0.63) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL493456 0.76 OPRM1 (0.51) OPRM1OPRD1OPRK1OPRL1CACNA2D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 EP disclosed
EP-2150530-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-02-10 EP disclosed
WO-2008131947-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO disclosed