SCHEMBL9707921

SCHEMBL9707921

C=C(C)c1nc2c(c(=O)n(CCCO)c(=O)n2C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 4/20 0.46
TRPC4 Q9UBN4 2/20 0.46
KCNH2 Q12809 1/20 0.46
TRPC1 P48995 1/20 0.42
BRAF P15056 2/20 0.41
PIK3CG P48736 1/20 0.41
ADORA3 P0DMS8 2/20 0.40
TP53 P04637 1/20 0.39
DPP4 P27487 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PCSK9 Q8NBP7 1/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 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
SCHEMBL9707689 0.92 TRPC5 (0.45) TRPC5TRPC4KCNH2TRPC1BRAF
SCHEMBL9708321 0.89 ALDH1A1 (0.44) TRPC5TRPC4KCNH2TRPC1BRAF
SCHEMBL9707666 0.88 ADORA3 (0.42) ADORA3
SCHEMBL9708923 0.86 TRPC4 (0.47) TRPC5TRPC4KCNH2TRPC1
SCHEMBL9708027 0.85 MAPT (0.42) ADORA3LMNATSHRNPSR1ALDH1A1
SCHEMBL9708532 0.84 TRPC4 (0.46) TRPC5TRPC4KCNH2TRPC1NPSR1
SCHEMBL9707874 0.83 TRPC4 (0.43) TRPC5TRPC4KCNH2TRPC1BRAF
SCHEMBL9707771 0.81 ALDH1A1 (0.45) TRPC5TRPC4KCNH2TRPC1BRAF
SCHEMBL9707888 0.81 ADORA3 (0.41) ADORA3
SCHEMBL9707876 0.80 GPR18 (0.38) KDM4E

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