SCHEMBL9707797

SCHEMBL9707797

CC(C)c1nc2[nH]c(=O)[nH]c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
AGTR1 P30556 8/20 0.38
AGTR2 P50052 8/20 0.38
USP1 O94782 1/20 0.35

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
SCHEMBL9707720 0.88 AGTR1 (0.43) DPP4AGTR1AGTR2
SCHEMBL9707628 0.86 AGTR1 (0.50) DPP4AGTR1AGTR2
SCHEMBL9707407 0.86 GPR18 (0.39) AGTR1AGTR2USP1
SCHEMBL9708314 0.85 ADORA2B (0.38) AGTR1AGTR2USP1
SCHEMBL9708752 0.85 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9707736 0.84 ADORA3 (0.42) USP1
SCHEMBL9708130 0.84 CXCL8 (0.49) DPP4
SCHEMBL9708173 0.84 AGTR1 (0.41) DPP4AGTR1AGTR2
SCHEMBL9708424 0.84 ADORA2B (0.40) AGTR1AGTR2USP1
SCHEMBL9707370 0.84 PPARG (0.36) AGTR1AGTR2USP1

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