SCHEMBL9215138

SCHEMBL9215138

CCCCc1cn(-c2nncn2CCC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)nc1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 17/20 0.56
AGTR2 P50052 14/20 0.56

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
SCHEMBL9224634 0.97 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL9218255 0.95 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9221662 0.95 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9221654 0.94 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9219606 0.92 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL9214909 0.92 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9218919 0.90 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9223683 0.90 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9219331 0.90 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL9222038 0.89 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