SCHEMBL9874893

SCHEMBL9874893

CC(c1ccccc1)c1nnc(C(C)c2ccccc2)c2c1nc(C1CCCCC1)n2Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.55
AGTR2 P50052 2/20 0.55
PPARG P37231 4/20 0.45
BRS3 P32247 1/20 0.44

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
SCHEMBL9873128 0.94 AGTR1 (0.53) AGTR1AGTR2PPARGBRS3
SCHEMBL9873798 0.91 AGTR1 (0.57) AGTR1AGTR2PPARGBRS3
SCHEMBL9872837 0.87 AGTR1 (0.55) AGTR1AGTR2PPARGBRS3
SCHEMBL9874838 0.83 AGTR1 (0.46) AGTR1PPARG
SCHEMBL9871996 0.83 AGTR1 (0.38) AGTR1AGTR2PPARG
SCHEMBL9872843 0.83 AGTR1 (0.62) AGTR1AGTR2PPARGBRS3
SCHEMBL9874384 0.82 AGTR1 (0.59) AGTR1AGTR2PPARGBRS3
SCHEMBL9873242 0.82 AGTR1 (0.55) AGTR1AGTR2PPARGBRS3
SCHEMBL9873394 0.82 AGTR1 (0.55) AGTR1AGTR2PPARGBRS3
SCHEMBL9871819 0.82 AGTR1 (0.58) AGTR1AGTR2PPARGBRS3

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