SCHEMBL9873644

SCHEMBL9873644

CC(C)(C)Cc1nc2c(CCc3ccccc3)nnc(O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.37
AGTR2 P50052 4/20 0.37
BRS3 P32247 1/20 0.37

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
SCHEMBL9874225 0.93 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9873591 0.93 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9874614 0.91 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9873131 0.90 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9873277 0.89 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9874148 0.88 AGTR2 (0.36) AGTR1AGTR2
SCHEMBL9874682 0.88 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9874106 0.88 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9873279 0.87 AGTR1 (0.34) AGTR1AGTR2BRS3
SCHEMBL9873098 0.87 AGTR1 (0.38) 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
WO-1991019715-A1 1H-SUBSTITUTED-IMIDAZO[4,5-d]PYRIDAZINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-12-26 WO disclosed