SCHEMBL9308565

SCHEMBL9308565

CCCc1nc(C)nc(NN)c1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.45
AGTR1 P30556 1/20 0.37

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
SCHEMBL9308911 0.94 PPARG (0.41) PPARGAGTR1
SCHEMBL9309739 0.92 PPARG (0.39) PPARG
SCHEMBL9308512 0.90 PPARG (0.45) PPARGAGTR1
SCHEMBL9308516 0.89 PPARG (0.44) PPARGAGTR1
SCHEMBL9308631 0.88 CYP19A1 (0.41) PPARG
SCHEMBL9308652 0.87 PPARG (0.43) PPARGAGTR1
SCHEMBL1894428 0.85 PPARG (0.50) PPARGAGTR1
SCHEMBL9308992 0.84 CYP1A2 (0.45) PPARG
SCHEMBL9307715 0.84 PPARG (0.49) PPARGAGTR1
SCHEMBL9310316 0.83 ALDH1A1 (0.31)

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 2 patents. 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
US-5217973-A Treatment of cardiovascular diseases such as hypertension, cardiac insufficiency and diseases of the arterial walls LABORATOIRES UPSA (FR) 1993-06-08 US disclosed