SCHEMBL7014174

SCHEMBL7014174

CN(C)c1nc2cc(-c3ccccc3C#N)ccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.53
CYP1A2 P05177 7/20 0.51
CYP3A4 P08684 7/20 0.51
ALDH1A1 P00352 5/20 0.51
HSD17B10 Q99714 5/20 0.51
HPGD P15428 3/20 0.51
CLK4 Q9HAZ1 4/20 0.43
MAPK1 P28482 3/20 0.43
ESR2 Q92731 1/20 0.41
LMNA P02545 3/20 0.39
USP2 O75604 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C19 P33261 3/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
NR3C1 P04150 1/20 0.38
GABRG2 P18507 3/20 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
SCHEMBL7019183 0.86 CYP1A2 (0.53) TRPA1CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL7015221 0.82 TRPA1 (0.57) TRPA1CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL7020541 0.81 TRPA1 (0.50) TRPA1CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL15156831 0.77 TRPA1 (0.51) TRPA1CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL8911589 0.77 TRPA1 (0.48) TRPA1CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL7018825 0.76 TRPA1 (0.53) TRPA1CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL7014933 0.76 TRPA1 (0.53) TRPA1CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL7018936 0.74 TRPA1 (0.51) TRPA1CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL7019918 0.74 GAA (0.54) TRPA1CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL7020356 0.73 MAPT (0.47) TRPA1CYP1A2CYP3A4ALDH1A1HSD17B10

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0574174-B1 Angiotensin II antagonists LILLY CO ELI (US) 2003-08-13 EP disclosed
US-5693633-A Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1997-12-02 US disclosed
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