SCHEMBL9307715

SCHEMBL9307715

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

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.49
ESR2 Q92731 1/20 0.43
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39

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
SCHEMBL9308844 0.94 PPARG (0.45) PPARGESR2AGTR1AGTR2
SCHEMBL9309571 0.91 ESR2 (0.45) PPARGESR2AGTR1AGTR2
SCHEMBL9311025 0.89 PPARG (0.49) PPARGESR2AGTR1AGTR2
SCHEMBL8312740 0.88 PPARG (0.48) PPARGESR2AGTR1AGTR2
SCHEMBL9309735 0.88 PPARG (0.48) PPARGESR2AGTR1AGTR2
SCHEMBL1894428 0.88 PPARG (0.50) PPARGAGTR1
SCHEMBL7308446 0.86 PPARG (0.47) PPARGESR2AGTR1AGTR2
SCHEMBL7312142 0.85 PPARG (0.46) PPARGESR2AGTR1AGTR2
SCHEMBL9308255 0.85 PPARG (0.46) PPARGESR2AGTR1AGTR2
SCHEMBL9308863 0.84 PPARG (0.46) PPARGESR2

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 3 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
EP-0424317-A2 Pyrimidines CIBA-GEIGY AG (CH) 1991-04-24 EP disclosed