SCHEMBL29691843

SCHEMBL29691843

NC1(c2ccc(-c3cc(C(=O)O)cc(-n4cc(-c5ccc(C(F)(F)F)cc5)nn4)c3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RY14 Q15391 20/20 1.00
▸ KCNH2 Q12809 2/20 0.77
▸ CYP1A2 P05177 1/20 0.77
▸ OPRD1 P41143 3/20 0.74
▸ TMEM97 Q5BJF2 2/20 0.69
▸ TSPO P30536 1/20 0.69

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
SCHEMBL29691751 0.96 P2RY14 (1.00) P2RY14KCNH2CYP1A2OPRD1TMEM97
SCHEMBL30608318 0.89 P2RY14 (0.80) P2RY14KCNH2CYP1A2OPRD1TMEM97
SCHEMBL29691813 0.89 P2RY14 (0.80) P2RY14KCNH2CYP1A2OPRD1TMEM97
SCHEMBL29692103 0.88 P2RY14 (1.00) P2RY14KCNH2CYP1A2OPRD1TMEM97
SCHEMBL29691860 0.87 P2RY14 (1.00) P2RY14KCNH2CYP1A2OPRD1TMEM97
SCHEMBL29691902 0.86 P2RY14 (1.00) P2RY14KCNH2CYP1A2OPRD1TMEM97
SCHEMBL30608312 0.86 P2RY14 (0.89) P2RY14KCNH2CYP1A2OPRD1TMEM97
SCHEMBL22996148 0.85 P2RY14 (1.00) P2RY14KCNH2OPRD1TMEM97TSPO
SCHEMBL30195805 0.85 P2RY14 (1.00) P2RY14KCNH2OPRD1TMEM97TSPO
SCHEMBL21263974 0.85 P2RY14 (0.73) P2RY14KCNH2CYP1A2OPRD1TMEM97

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4277895-A1 HETEROCYCLIC P2Y 14 RECEPTOR ANTAGONISTS The United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2023-11-22 — — EP disclosed
CN-116964034-A Heterocyclic ring P2Y 14 Receptor antagonists 美国卫生和人力服务部 2023-10-27 — — CN disclosed
WO-2022155037-A1 HETEROCYCLIC P2Y 14 RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2022-07-21 — — WO disclosed
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