SCHEMBL9225558

SCHEMBL9225558

CCCCc1cn(-c2nccn2CCCC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)nc1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 16/20 0.58
AGTR2 P50052 14/20 0.58

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
SCHEMBL9223683 0.97 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9223011 0.97 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9218356 0.95 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9217280 0.92 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9223342 0.92 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9221481 0.90 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9224634 0.90 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL9223562 0.89 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9225049 0.89 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL9221825 0.89 AGTR1 (0.59) 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