SCHEMBL9225447

SCHEMBL9225447

CCCCc1cn(-c2ncnn2C(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)nc1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 15/20 0.55
AGTR2 P50052 14/20 0.55

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
SCHEMBL9217827 0.95 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9221556 0.94 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9222904 0.90 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9219811 0.90 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9222434 0.90 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9216813 0.90 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9224434 0.89 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9222547 0.89 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9221958 0.89 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9223142 0.88 AGTR1 (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5451592-A Angiotensin antagonist C.D. SEARLE & CO. (US) 1995-09-19 US disclosed