SCHEMBL9308799

SCHEMBL9308799

CCc1nc(C)n2ncnc2c1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.40
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA2 P47869 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
SCHEMBL9308857 0.92 PPARG (0.46) PPARG
SCHEMBL9310836 0.84 PPARG (0.40) PPARG
SCHEMBL9254113 0.82 PPARG (0.39) PPARGGABRA1GABRG2GABRB3GABRA2
SCHEMBL9310965 0.80 PPARG (0.40) PPARG
SCHEMBL9308412 0.78 AGTR1 (0.58) PPARG
SCHEMBL9309802 0.78 ADORA3 (0.41)
SCHEMBL9310075 0.77 PPARG (0.45) PPARG
SCHEMBL1894719 0.77 KDM4E (0.40) PPARG
SCHEMBL9308991 0.77
SCHEMBL9253827 0.76 PPARG (0.41) PPARGGABRA1GABRG2GABRB3GABRA2

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