SCHEMBL9225005

SCHEMBL9225005

CCCc1cn(-c2nncn2C(C)CC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)nc1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 13/20 0.48
AGTR2 P50052 13/20 0.48
MAP3K5 Q99683 2/20 0.32

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
SCHEMBL9216791 0.96 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9221749 0.94 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9222038 0.90 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL9219102 0.90 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9225337 0.89 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL7679644 0.88 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9221839 0.88 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9218919 0.88 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9225799 0.87 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9225094 0.87 AGTR1 (0.48) 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