SCHEMBL9872063

SCHEMBL9872063

CC(C)c1nc2c(C(C)c3ccccc3)nnc(C(C)c3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.34

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
SCHEMBL9873421 0.93 PPARG (0.33) AGTR1
SCHEMBL9873118 0.90 PPARG (0.35) AGTR1
SCHEMBL9874220 0.86 AGTR1 (0.35) AGTR1
SCHEMBL9872256 0.85 AGTR1 (0.48) AGTR1
SCHEMBL9874357 0.85 PPARG (0.35) AGTR1
SCHEMBL9871996 0.84 AGTR1 (0.38) AGTR1
SCHEMBL9874669 0.83 AGTR1 (0.35) AGTR1
SCHEMBL9874034 0.83 AGTR2 (0.37) AGTR1
SCHEMBL9873122 0.82 AGTR1 (0.35) AGTR1
SCHEMBL9873834 0.82 AGTR1 (0.35) AGTR1

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