SCHEMBL30608303

SCHEMBL30608303

COC(=O)c1cc(-c2ccc(-c3ccon3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RY14 Q15391 20/20 0.79
▸ OPRD1 P41143 4/20 0.59
▸ KCNH2 Q12809 2/20 0.59
▸ TSPO P30536 2/20 0.58
▸ HRH1 P35367 1/20 0.58
▸ TMEM97 Q5BJF2 2/20 0.56

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
SCHEMBL29691730 1.00 P2RY14 (0.79) P2RY14OPRD1KCNH2TSPOHRH1
SCHEMBL29691826 0.89 P2RY14 (1.00) P2RY14OPRD1KCNH2TSPOHRH1
SCHEMBL30608297 0.89 P2RY14 (0.71) P2RY14OPRD1KCNH2TSPOTMEM97
SCHEMBL29691868 0.88 P2RY14 (0.78) P2RY14OPRD1KCNH2TSPOTMEM97
SCHEMBL29691898 0.88 P2RY14 (0.67) P2RY14OPRD1KCNH2TSPOHRH1
SCHEMBL29691816 0.88 P2RY14 (0.83) P2RY14OPRD1KCNH2TSPOTMEM97
SCHEMBL29691741 0.85 P2RY14 (0.83) P2RY14OPRD1KCNH2TSPOTMEM97
SCHEMBL29691824 0.85 P2RY14 (0.81) P2RY14OPRD1KCNH2TSPOHRH1
SCHEMBL30608310 0.85 P2RY14 (0.81) P2RY14OPRD1KCNH2TSPOHRH1
SCHEMBL29691775 0.84 P2RY14 (0.80) P2RY14OPRD1KCNH2TSPOTMEM97

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-116964034-A Heterocyclic ring P2Y 14 Receptor antagonists 美国卫生和人力服务部 2023-10-27 — — CN disclosed
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