SCHEMBL9871043

SCHEMBL9871043

CCCc1nnc(O)c2c1nc(C1CCCCC1)n2Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 12/20 0.40
AGTR1 P30556 11/20 0.40

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
SCHEMBL9872036 0.94 AGTR1 (0.41) AGTR2AGTR1
SCHEMBL9874735 0.92 AGTR1 (0.40) AGTR2AGTR1
SCHEMBL9871710 0.91 AGTR1 (0.42) AGTR2AGTR1
SCHEMBL9874647 0.88 AGTR1 (0.38) AGTR2AGTR1
SCHEMBL9871777 0.88 AGTR1 (0.38) AGTR2AGTR1
SCHEMBL9872876 0.88 AGTR1 (0.38) AGTR2AGTR1
SCHEMBL9873884 0.88 AGTR1 (0.40) AGTR2AGTR1
SCHEMBL9872125 0.88 AGTR1 (0.40) AGTR2AGTR1
SCHEMBL9874786 0.87 AGTR1 (0.40) AGTR2AGTR1
SCHEMBL9872996 0.87 AGTR1 (0.41) AGTR2AGTR1

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 2 patents. 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 claimed
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