SCHEMBL8931990

SCHEMBL8931990

CCCCCCc1nc(-n2cnc3cc(-c4ccccc4C#N)ccc32)cn1CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
AGTR1 P30556 2/20 0.40
AGTR2 P50052 2/20 0.40
PPARG P37231 7/20 0.37
PLA2G4A P47712 2/20 0.35
APLNR P35414 2/20 0.34
STAT3 P40763 1/20 0.34
FGFR1 P11362 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA4 P48058 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL8932037 0.83 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8931816 0.77 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7022829 0.77 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8912762 0.74 FFAR1 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7015212 0.73 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8931820 0.72 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8931804 0.71 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8931800 0.70 EGLN3 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7016786 0.67 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8911684 0.66 MAPT (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3

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-5693633-A Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1997-12-02 US disclosed