SCHEMBL23247282

SCHEMBL23247282

Cc1ccc(-c2cnc(C3CCCCN3C(=O)CC[S+](C)[O-])[nH]2)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRCP P42785 11/20 0.66
OPRM1 P35372 2/20 0.48
OPRD1 P41143 2/20 0.48
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
NR1I2 O75469 1/20 0.47
ABCB11 O95342 1/20 0.47
OPRK1 P41145 1/20 0.47
KCNH2 Q12809 1/20 0.47
CYP1A2 P05177 1/20 0.44

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
SCHEMBL26989010 0.88 PRCP (0.70) PRCPOPRM1OPRD1HCRTR1HCRTR2
SCHEMBL23247921 0.86 PRCP (0.67) PRCPOPRM1OPRD1HCRTR1HCRTR2
SCHEMBL23247284 0.83 CYP3A4 (0.55) PRCPOPRM1OPRD1HCRTR1HCRTR2
SCHEMBL23247560 0.82 PRCP (0.64) PRCPOPRM1OPRD1HCRTR1HCRTR2
SCHEMBL31165616 0.82 PRCP (0.62) PRCPOPRM1OPRD1HCRTR1HCRTR2
SCHEMBL29666088 0.81 PRCP (0.61) PRCPOPRM1OPRD1HCRTR1HCRTR2
SCHEMBL23247438 0.81 PRCP (0.61) PRCPOPRM1OPRD1HCRTR1HCRTR2
SCHEMBL27003154 0.81 PRCP (0.61) PRCPOPRM1OPRD1HCRTR1HCRTR2
SCHEMBL23247554 0.80 CYP3A4 (0.61) PRCPOPRM1OPRD1HCRTR1HCRTR2
SCHEMBL23247532 0.79 PRCP (0.58) PRCPOPRM1OPRD1HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4045491-A1 SUBSTITUTED AZACYLES AS TRMP8 MODULATORS Givaudan SA (CH) 2022-08-24 EP claimed
WO-2021074281-A1 SUBSTITUTED AZACYLES AS TRMP8 MODULATORS GIVAUDAN SA (CH) 2021-04-22 WO claimed