SCHEMBL30833227

SCHEMBL30833227

NC(=O)c1ccc2ccn(C3C[C@H]4CC[C@@H](C3)N4Cc3ccc(C(F)(F)F)cc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.48
OPRD1 P41143 7/20 0.48
LTA4H P09960 1/20 0.46
OPRK1 P41145 14/20 0.44
KCNH2 Q12809 13/20 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
SCHEMBL30833213 0.89 OPRK1 (0.48) OPRM1OPRD1LTA4HOPRK1KCNH2
SCHEMBL30833198 0.88 OPRK1 (0.47) OPRM1OPRD1LTA4HOPRK1KCNH2
SCHEMBL30833209 0.87 OPRK1 (0.56) OPRM1OPRD1LTA4HOPRK1KCNH2
SCHEMBL30833216 0.87 KCNH2 (0.58) OPRM1OPRD1OPRK1KCNH2
SCHEMBL30833235 0.80 PARP1 (0.41) OPRM1OPRD1OPRK1KCNH2
SCHEMBL30833238 0.80 OPRK1 (0.59) OPRM1OPRD1OPRK1KCNH2
SCHEMBL30833220 0.79 OPRM1 (0.58) OPRM1OPRD1OPRK1KCNH2
SCHEMBL30344212 0.77 HTR1A (0.46) OPRM1OPRD1OPRK1
SCHEMBL30833224 0.77 OPRK1 (0.59) OPRM1OPRD1OPRK1KCNH2
SCHEMBL30833229 0.77 OPRK1 (0.39) OPRM1OPRD1OPRK1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117729914-A Serotonin 5-HT2B inhibiting compounds 硕腾服务有限责任公司 2024-03-19 CN disclosed