SCHEMBL9224012

SCHEMBL9224012

CCCc1cn(-c2nccn2C(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
SCHEMBL9225049 0.95 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL9219102 0.94 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9221836 0.91 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9221778 0.90 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9224759 0.90 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9221749 0.89 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9221481 0.89 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9217280 0.89 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9225669 0.89 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL7685828 0.88 AGTR1 (0.49) 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