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Sugi Predict / Compounds / SCHEMBL9708923

SCHEMBL9708923

SCHEMBL9708923

CCCc1nc2c(c(=O)n(CCCO)c(=O)n2C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TRPC4 Q9UBN4 2/20 0.47
▸ TRPC5 Q9UL62 2/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ TRPC1 P48995 1/20 0.44
▸ AGTR1 P30556 7/20 0.43
▸ AGTR2 P50052 7/20 0.43

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
SCHEMBL9708532 0.95 TRPC4 (0.46) TRPC4TRPC5KCNH2TRPC1AGTR1
SCHEMBL9708536 0.94 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9707955 0.92 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9708739 0.91 TSHR (0.45) AGTR1AGTR2
SCHEMBL9707515 0.90 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9708706 0.90 ALOX15 (0.50) AGTR1AGTR2
SCHEMBL9707994 0.90 DCTPP1 (0.45) TRPC4TRPC5KCNH2AGTR1AGTR2
SCHEMBL9708070 0.90 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9708171 0.89 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9707530 0.89 AGTR1 (0.51) AGTR1AGTR2

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