SCHEMBL30608312

SCHEMBL30608312

O=C(O)c1cc(-c2ccccc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1

nearest known ligand 0.89

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RY14 Q15391 20/20 0.89
▸ OPRD1 P41143 4/20 0.82
▸ KCNH2 Q12809 3/20 0.82
▸ TMEM97 Q5BJF2 2/20 0.76
▸ TSPO P30536 2/20 0.76
▸ CYP1A2 P05177 1/20 0.72
▸ HRH1 P35367 1/20 0.72

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
SCHEMBL29691860 0.94 P2RY14 (1.00) P2RY14OPRD1KCNH2TMEM97TSPO
SCHEMBL29691896 0.91 P2RY14 (0.86) P2RY14OPRD1KCNH2TMEM97TSPO
SCHEMBL29691902 0.91 P2RY14 (1.00) P2RY14OPRD1KCNH2TMEM97TSPO
SCHEMBL22996148 0.90 P2RY14 (1.00) P2RY14OPRD1KCNH2TMEM97TSPO
SCHEMBL30195805 0.90 P2RY14 (1.00) P2RY14OPRD1KCNH2TMEM97TSPO
SCHEMBL29691917 0.90 P2RY14 (1.00) P2RY14OPRD1KCNH2TMEM97TSPO
SCHEMBL30497387 0.90 P2RY14 (0.80) P2RY14OPRD1KCNH2TMEM97TSPO
SCHEMBL29691826 0.89 P2RY14 (1.00) P2RY14OPRD1KCNH2TMEM97TSPO
SCHEMBL30608297 0.89 P2RY14 (0.71) P2RY14OPRD1KCNH2TMEM97TSPO
SCHEMBL29691839 0.87 P2RY14 (1.00) P2RY14OPRD1KCNH2TMEM97TSPO

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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