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SCHEMBL9708892

SCHEMBL9708892

CCc1nc2c(c(=O)n(CC3CC3)c(=O)n2C(C)OC)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 6/20 0.40
▸ AGTR2 P50052 6/20 0.40
▸ PDE5A O76074 5/20 0.40
▸ PDE4A P27815 5/20 0.40
▸ PDE4B Q07343 5/20 0.40
▸ PDE4C Q08493 5/20 0.40
▸ PDE4D Q08499 5/20 0.40
▸ ADORA3 P0DMS8 4/20 0.39
▸ ADORA2A P29274 1/20 0.36

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
SCHEMBL9708805 0.95 AGTR1 (0.40) AGTR1AGTR2PDE5APDE4APDE4B
SCHEMBL9707913 0.94 AGTR1 (0.43) AGTR1AGTR2PDE5APDE4APDE4B
SCHEMBL9708078 0.93 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9708120 0.92 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9707657 0.91 PDE5A (0.40) AGTR1AGTR2PDE5APDE4APDE4B
SCHEMBL9707273 0.91 PDE5A (0.41) AGTR1AGTR2PDE5APDE4APDE4B
SCHEMBL9707826 0.91 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9708071 0.90 PDE5A (0.49) AGTR1AGTR2PDE5APDE4APDE4B
SCHEMBL9707517 0.89 AGTR1 (0.41) AGTR1AGTR2ADORA3
SCHEMBL9708454 0.89 AGTR1 (0.41) AGTR1AGTR2ADORA3

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
WO-1992007852-A1 BIPHENYLALKYL XANTHINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1992-05-14 — — WO disclosed