SCHEMBL8911787

SCHEMBL8911787

CCCCCCC(c1nccn1C)n1cnc2cc(-c3ccccc3C#N)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
GABRA1 P14867 3/20 0.37
GABRG2 P18507 3/20 0.37
GABRB3 P28472 3/20 0.37
GABRA5 P31644 3/20 0.37
GABRA3 P34903 3/20 0.37
CYP1A2 P05177 6/20 0.34
CYP3A4 P08684 6/20 0.34
ALDH1A1 P00352 5/20 0.34
HPGD P15428 2/20 0.34
PPARG P37231 2/20 0.34
KDM4E B2RXH2 1/20 0.34
KDM1A O60341 1/20 0.33
HSD17B10 Q99714 4/20 0.33
CLK4 Q9HAZ1 4/20 0.33
MAPK1 P28482 3/20 0.33
PGR P06401 1/20 0.33
DPP4 P27487 1/20 0.33
USP2 O75604 3/20 0.32
NR3C1 P04150 1/20 0.32

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
SCHEMBL8911814 0.86 GABRA1 (0.38) FFAR1GABRA1GABRG2GABRB3GABRA5
SCHEMBL8912762 0.85 FFAR1 (0.39) FFAR1GABRA1GABRG2GABRB3GABRA5
SCHEMBL8911684 0.83 MAPT (0.38) FFAR1GABRA1GABRG2GABRB3GABRA5
SCHEMBL8913816 0.82 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8911478 0.82 CMKLR1 (0.42)
SCHEMBL7015212 0.79 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8931820 0.75 GABRA1 (0.45) FFAR1GABRA1GABRG2GABRB3GABRA5
SCHEMBL7016789 0.73 GABRA1 (0.35) FFAR1GABRA1GABRG2GABRB3GABRA5
SCHEMBL7016786 0.73 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9094237 0.70 AGTR1 (0.40)

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