SCHEMBL9839486

SCHEMBL9839486

COc1ccc(C(C(N)=O)N2CC(C)N(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 4/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ DPP8 Q6V1X1 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ OPRM1 P35372 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ DGKA P23743 1/20 0.38
▸ DGKZ Q13574 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
SCHEMBL25328216 0.78 MAPK14 (0.37) DPP8
SCHEMBL21831810 0.78 MAPK14 (0.37) DPP8
SCHEMBL5428037 0.78 CHRM2 (0.54) OPRD1CHRM2CHRM1CYP3A4OPRM1
SCHEMBL7428899 0.76 LMNA (0.54) OPRD1CYP1A2CYP3A4LMNAGAA
SCHEMBL30554479 0.75 TACR1 (0.38) —
SCHEMBL23126416 0.75 TACR1 (0.38) —
Hydrochloric Acid SCHEMBL7430355 0.75 LMNA (0.53) OPRD1CYP1A2CYP3A4HPGDLMNA
Hydrochloric Acid SCHEMBL7434773 0.75 LMNA (0.53) OPRD1CYP1A2CYP3A4HPGDLMNA
Hydrochloric Acid SCHEMBL7434945 0.75 LMNA (0.53) OPRD1CYP1A2CYP3A4HPGDLMNA
SCHEMBL26925700 0.73 OPRD1 (0.43) OPRD1CYP1A2CYP3A4OPRM1

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
US-5028610-A Calcium Channel Blockers SANKYO COMPANY LIMITED (JP) 1991-07-02 — — US disclosed
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