SCHEMBL9309558

SCHEMBL9309558

CCCc1nc(CC)n2[nH]c(=O)nc2c1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.56
PPARG P37231 2/20 0.46

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
SCHEMBL9308894 0.91 AGTR1 (0.53) AGTR1PPARG
SCHEMBL9308944 0.90 AGTR1 (0.69) AGTR1PPARG
SCHEMBL9308892 0.84 AGTR1 (0.62) AGTR1
SCHEMBL9308412 0.84 AGTR1 (0.58) AGTR1PPARG
SCHEMBL9309641 0.82 AGTR1 (0.48) AGTR1PPARG
SCHEMBL9309944 0.81 AGTR1 (0.60) AGTR1
SCHEMBL1888602 0.80 PPARG (0.46) AGTR1PPARG
SCHEMBL1886733 0.79 PPARG (0.45) AGTR1PPARG
SCHEMBL1895004 0.78 PPARG (0.44) AGTR1PPARG
SCHEMBL2845607 0.78 AGTR1 (0.44) AGTR1PPARG

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