SCHEMBL9308846

SCHEMBL9308846

CCCc1nc(COC)n2c(=O)[nH]nc2c1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
AGTR1 P30556 1/20 0.41

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
SCHEMBL9308556 0.87 AGTR1 (0.49) AGTR1
SCHEMBL9308894 0.84 AGTR1 (0.53) PPARGAGTR1
SCHEMBL9308603 0.82 AGTR1 (0.44) AGTR1
SCHEMBL9311408 0.79 PPARG (0.42) PPARGCNR1CNR2AGTR1
SCHEMBL9308255 0.77 PPARG (0.46) PPARGAGTR1
SCHEMBL9309558 0.76 AGTR1 (0.56) PPARGAGTR1
SCHEMBL4011221 0.76 PPARG (0.43) PPARGAGTR1
SCHEMBL1890531 0.76 APLNR (0.43) PPARG
SCHEMBL1893587 0.76 PPARG (0.48) PPARG
SCHEMBL1897236 0.76 PPARG (0.44) PPARGAGTR1

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
US-5358950-A Useful in treatment of cardiovascular diseases LABORATOIRES UPSA (FR) 1994-10-25 US disclosed