SCHEMBL9592176

SCHEMBL9592176

CCCCc1nc2ccc(C)cc2c(=O)n1Cc1ccc(OC(c2ccccc2)c2nnn[nH]2)cc1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.48
▸ PDE4B Q07343 1/20 0.48
▸ PDE4C Q08493 1/20 0.48
▸ PDE4D Q08499 1/20 0.48

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
SCHEMBL9592404 0.96 NPC1 (0.45) —
SCHEMBL9590973 0.91 — —
SCHEMBL9593697 0.90 — —
SCHEMBL9592046 0.90 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL9603805 0.90 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL9590365 0.87 AGTR1 (0.51) —
SCHEMBL9590852 0.86 PDE4A (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL9591772 0.86 AGTR1 (0.45) —
SCHEMBL9590665 0.85 PDE4A (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL9593854 0.83 AGTR1 (0.43) —

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-5264439-A Quinazolinone, triazolinone and pyrimidinone angiotensin II antagonists incorporating a substituted benzyl element MERCK & CO., INC. (US) 1993-11-23 — — US disclosed
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