SCHEMBL9873237

SCHEMBL9873237

CC(C)c1nc2c(SC3CCCCC3)nnc(SC3CCCCC3)c2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.45
AGTR2 P50052 1/20 0.45
PPARG P37231 4/20 0.43

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
SCHEMBL9874137 0.94 AGTR1 (0.43) AGTR1AGTR2PPARG
SCHEMBL9872757 0.89 AGTR1 (0.49) AGTR1AGTR2PPARG
SCHEMBL9873054 0.86 AGTR1 (0.54) AGTR1AGTR2PPARG
SCHEMBL9872573 0.85 PPARG (0.46) AGTR1AGTR2PPARG
SCHEMBL9873766 0.85 AGTR2 (0.57) AGTR1AGTR2
SCHEMBL9871489 0.84 AGTR1 (0.49) AGTR1AGTR2PPARG
SCHEMBL9873055 0.83 PPARG (0.48) AGTR1AGTR2PPARG
SCHEMBL9874064 0.83 AGTR1 (0.47) AGTR1AGTR2PPARG
SCHEMBL9872105 0.83 PPARG (0.49) AGTR1AGTR2PPARG
SCHEMBL9874051 0.83 PPARG (0.48) 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