SCHEMBL9872256

SCHEMBL9872256

CCCCc1nc2c(C(C)c3ccccc3)nnc(C(C)c3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.48
AGTR2 P50052 4/20 0.48

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
SCHEMBL9873265 0.94 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9874091 0.90 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9874220 0.88 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9872063 0.85 AGTR1 (0.34) AGTR1
SCHEMBL9873209 0.85 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9874528 0.82 AGTR2 (0.61) AGTR1AGTR2
SCHEMBL9872519 0.82 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9872663 0.82 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9874627 0.82 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9873094 0.82 AGTR1 (0.49) 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