SCHEMBL9874673

SCHEMBL9874673

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

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.37
AGTR2 P50052 8/20 0.36

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
SCHEMBL9872988 0.93 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9875029 0.93 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9873778 0.92 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL9873426 0.91 AGTR1 (0.34) AGTR1
SCHEMBL9874357 0.89 PPARG (0.35) AGTR1
SCHEMBL9873077 0.89 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9874380 0.89 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9873334 0.89 GRM2 (0.33) AGTR1AGTR2
SCHEMBL9872000 0.88 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9874661 0.88 AGTR2 (0.35) AGTR2

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