SCHEMBL9871652

SCHEMBL9871652

CSc1nnc(SC)c2c1nc(C1CCCCC1)n2Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.57
AGTR2 P50052 1/20 0.57
PPARG P37231 3/20 0.45

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
SCHEMBL9872979 0.94 AGTR1 (0.55) AGTR1AGTR2PPARG
SCHEMBL9873909 0.90 AGTR1 (0.56) AGTR1AGTR2PPARG
SCHEMBL9873242 0.89 AGTR1 (0.55) AGTR1AGTR2PPARG
SCHEMBL9873537 0.89 AGTR1 (0.56) AGTR1AGTR2PPARG
SCHEMBL9873054 0.89 AGTR1 (0.54) AGTR1AGTR2PPARG
SCHEMBL9873272 0.88 AGTR1 (0.53) AGTR1AGTR2PPARG
SCHEMBL9873816 0.86 AGTR1 (0.53) AGTR1AGTR2PPARG
SCHEMBL9873478 0.85 AGTR1 (0.53) AGTR1AGTR2PPARG
SCHEMBL9873595 0.85 AGTR1 (0.58) AGTR1AGTR2PPARG
SCHEMBL9871459 0.85 AGTR1 (0.52) AGTR1AGTR2PPARG

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