SCHEMBL9708826

SCHEMBL9708826

CCn1c(=O)n(C)c(=O)c2c1nc(C(C)C)n2Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
USP1 O94782 5/20 0.40
GPR18 Q14330 1/20 0.40
ATM Q13315 1/20 0.37

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
SCHEMBL9707814 0.94 ADORA3 (0.42) HPGDUSP1
SCHEMBL9708010 0.93 MAPT (0.41) USP1
SCHEMBL9708391 0.92 PDE1A (0.44) HPGDUSP1
SCHEMBL9707977 0.92 ALDH1A1 (0.44) ATM
SCHEMBL9707902 0.91 HPGD (0.43) HPGD
SCHEMBL9708350 0.91 ADORA3 (0.43)
SCHEMBL9708054 0.90 USP1 (0.42) HPGDUSP1
SCHEMBL9708311 0.90 ADORA1 (0.42)
SCHEMBL9708133 0.90 PDE5A (0.41) HPGDUSP1
SCHEMBL9707502 0.90 ADORA1 (0.42)

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