SCHEMBL9873289

SCHEMBL9873289

Cc1nc2c(SC3CCCCC3)nnc(O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 10/20 0.38
AGTR2 P50052 9/20 0.38
PPARG P37231 2/20 0.33
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL9873765 0.90 PPARG (0.34) AGTR1AGTR2PPARGFFAR4
SCHEMBL9874510 0.90 AGTR2 (0.38) AGTR1AGTR2FFAR4
SCHEMBL9873750 0.89 AGTR1 (0.44) AGTR1AGTR2PPARG
SCHEMBL9872553 0.89 AGTR1 (0.34) AGTR1AGTR2PPARG
SCHEMBL9874478 0.87 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9873895 0.86 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9873331 0.86 AGTR1 (0.42) AGTR1AGTR2PPARG
SCHEMBL9872994 0.86 AGTR1 (0.38) AGTR1AGTR2PPARG
SCHEMBL9874102 0.85 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9872384 0.84 AGTR1 (0.35) 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