SCHEMBL30833213

SCHEMBL30833213

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

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 14/20 0.48
KCNH2 Q12809 12/20 0.48
OPRM1 P35372 11/20 0.48
OPRD1 P41143 6/20 0.46
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR1F P30939 1/20 0.44
LTA4H P09960 1/20 0.43
CCR3 P51677 1/20 0.43

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
SCHEMBL30833198 0.91 OPRK1 (0.47) OPRK1KCNH2OPRM1OPRD1LTA4H
SCHEMBL30833216 0.89 KCNH2 (0.58) OPRK1KCNH2OPRM1OPRD1
SCHEMBL30833227 0.89 OPRM1 (0.48) OPRK1KCNH2OPRM1OPRD1LTA4H
SCHEMBL30833209 0.88 OPRK1 (0.56) OPRK1KCNH2OPRM1OPRD1LTA4H
SCHEMBL30833235 0.82 PARP1 (0.41) OPRK1KCNH2OPRM1OPRD1
SCHEMBL30833238 0.82 OPRK1 (0.59) OPRK1KCNH2OPRM1OPRD1
SCHEMBL30833220 0.80 OPRM1 (0.58) OPRK1KCNH2OPRM1OPRD1
SCHEMBL30344212 0.79 HTR1A (0.46) OPRK1OPRM1OPRD1HTR1AHTR1D
SCHEMBL30833224 0.79 OPRK1 (0.59) OPRK1KCNH2OPRM1OPRD1
SCHEMBL30833229 0.79 OPRK1 (0.39) 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