SCHEMBL8913816

SCHEMBL8913816

CCCCCC(c1ncc[nH]1)n1cnc2cc(-c3ccccc3C#N)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
PPARG P37231 2/20 0.34
F11 P03951 1/20 0.34
KLKB1 P03952 1/20 0.34
CYP1A2 P05177 6/20 0.33
CYP3A4 P08684 6/20 0.33
ALDH1A1 P00352 5/20 0.33
HSD17B10 Q99714 5/20 0.33
HPGD P15428 3/20 0.33
MAPK1 P28482 3/20 0.33
CLK4 Q9HAZ1 3/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33

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
SCHEMBL8911787 0.82 FFAR1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8911814 0.78 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7015212 0.78 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8912762 0.78 FFAR1 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8911684 0.76 MAPT (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7016789 0.72 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7016786 0.72 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8931816 0.69 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8931820 0.69 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8931804 0.67 GABRA1 (0.42) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5612360-A AROMATIC N-HETEROCYCLIC COMPOUNDS AS HYPOTENSIVE AGENTS WITH ACID GROUPS, SULFONYLCARBOXAMIDES OR TETRAZOLE GROUPS ELI LILLY AND COMPANY (US) 1997-03-18 US disclosed
US-5569768-A USEFUL IN TREATING HYPERTENSION, CONGESTIVE HEART FAILURE, GLAUCOMA AND RENAL INSUFFICIENCY ELI LILLY AND COMPANY (US) 1996-10-29 US disclosed
US-5556981-A Angiotensin II antagonist intermediates ELI LILLY AND COMPANY (US) 1996-09-17 US disclosed
EP-0574174-A2 Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1993-12-15 EP disclosed