SCHEMBL30833220

SCHEMBL30833220

NC(=O)c1ccc2ccn(C3C[C@H]4CC[C@@H](C3)N4Cc3cccs3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.58
OPRK1 P41145 10/20 0.58
KCNH2 Q12809 9/20 0.58
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
OPRD1 P41143 8/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
PARP1 P09874 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
SCHEMBL30833216 0.83 KCNH2 (0.58) OPRM1OPRK1KCNH2OPRD1
SCHEMBL30833229 0.83 OPRK1 (0.39) OPRM1OPRK1KCNH2OPRD1
SCHEMBL30833218 0.82 OPRK1 (0.39) OPRM1OPRK1KCNH2CYP2D6OPRD1
SCHEMBL30833209 0.82 OPRK1 (0.56) OPRM1OPRK1KCNH2OPRD1
SCHEMBL30833223 0.81 OPRK1 (0.39) OPRM1OPRK1KCNH2OPRD1
SCHEMBL30833198 0.81 OPRK1 (0.47) OPRM1OPRK1KCNH2OPRD1
SCHEMBL30833231 0.80 OPRK1 (0.39) OPRM1OPRK1KCNH2OPRD1
SCHEMBL30833213 0.80 OPRK1 (0.48) OPRM1OPRK1KCNH2OPRD1
SCHEMBL30833224 0.79 OPRK1 (0.59) OPRM1OPRK1KCNH2OPRD1
SCHEMBL30344212 0.78 HTR1A (0.46) OPRM1OPRK1SMN1; SMN2OPRD1NOS3

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