SCHEMBL8932037

SCHEMBL8932037

CCCCCCc1nc(-n2cnc3cc(-c4ccccc4C#N)ccc32)cn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
PPARG P37231 4/20 0.37
AGTR1 P30556 2/20 0.36
AGTR2 P50052 2/20 0.36
FGFR1 P11362 1/20 0.34
APLNR P35414 3/20 0.33
NR3C1 P04150 1/20 0.32
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 3/20 0.31
CYP1A2 P05177 3/20 0.31
CYP3A4 P08684 3/20 0.31
HSD17B10 Q99714 3/20 0.31
MAPK1 P28482 2/20 0.31
CLK4 Q9HAZ1 2/20 0.31
TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL8931990 0.83 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8931816 0.80 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8911814 0.72 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8931820 0.71 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7015212 0.68 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8931804 0.66 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8911589 0.64 TRPA1 (0.48) PPARGALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL8911595 0.64 POLB (0.46) PPARGMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL8911787 0.63 FFAR1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2190248 0.63 GABRA1 (0.85) 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