SCHEMBL9225669

SCHEMBL9225669

CCCc1cn(-c2cccn2C(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)nc1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 12/20 0.49
AGTR2 P50052 12/20 0.49

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
SCHEMBL9217025 0.95 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9225094 0.94 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9226014 0.90 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9220358 0.90 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9221800 0.89 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9225219 0.89 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL7685828 0.89 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9224012 0.89 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9223512 0.88 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9222158 0.88 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 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