SCHEMBL30833217

SCHEMBL30833217

N#Cc1cn(C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c2cc(C(N)=O)ccc12

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 19/20 0.53
KCNH2 Q12809 19/20 0.53
OPRM1 P35372 12/20 0.53
OPRD1 P41143 6/20 0.53

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
SCHEMBL30833216 0.78 KCNH2 (0.58) OPRK1KCNH2OPRM1OPRD1
SCHEMBL30833214 0.73 OPRK1 (0.59) OPRK1KCNH2OPRM1OPRD1
SCHEMBL30833208 0.73 KCNH2 (0.54) OPRK1KCNH2OPRM1OPRD1
SCHEMBL30833204 0.72 KCNH2 (0.56) OPRK1KCNH2OPRM1OPRD1
SCHEMBL30833198 0.69 OPRK1 (0.47) OPRK1KCNH2OPRM1OPRD1
SCHEMBL30833225 0.69 KCNH2 (0.54) OPRK1KCNH2OPRM1OPRD1
SCHEMBL30833213 0.68 OPRK1 (0.48) OPRK1KCNH2OPRM1OPRD1
SCHEMBL30833209 0.68 OPRK1 (0.56) OPRK1KCNH2OPRM1OPRD1
SCHEMBL30833238 0.67 OPRK1 (0.59) OPRK1KCNH2OPRM1OPRD1
SCHEMBL30833197 0.66 KCNH2 (0.56) OPRK1KCNH2OPRM1OPRD1

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