SCHEMBL9873317

SCHEMBL9873317

CCc1nnc(CC)c2c1nc(CC(C)(C)C)n2Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 11/20 0.41
AGTR2 P50052 10/20 0.41

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
SCHEMBL9874614 0.93 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9874225 0.89 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9872323 0.87 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9873591 0.86 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9872890 0.86 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9874500 0.85 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9873002 0.85 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9874369 0.85 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9873131 0.84 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9872051 0.84 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