SCHEMBL7019183

SCHEMBL7019183

CCN(CC)c1nc2cc(-c3ccccc3C#N)ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.53
CYP2D6 P10635 3/20 0.53
CYP2C19 P33261 3/20 0.53
LMNA P02545 3/20 0.53
TRPA1 O75762 1/20 0.50
ALDH1A1 P00352 7/20 0.43
CYP3A4 P08684 6/20 0.43
HSD17B10 Q99714 5/20 0.43
HPGD P15428 5/20 0.43
MAPK1 P28482 3/20 0.40
CLK4 Q9HAZ1 3/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 1/20 0.39
PPARG P37231 2/20 0.39
ESR2 Q92731 1/20 0.38
USP2 O75604 2/20 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
SCHEMBL7014174 0.86 TRPA1 (0.53) CYP1A2CYP2D6CYP2C19LMNATRPA1
SCHEMBL7015221 0.79 TRPA1 (0.57) CYP1A2CYP2D6CYP2C19LMNATRPA1
SCHEMBL7020541 0.78 TRPA1 (0.50) CYP1A2CYP2D6CYP2C19LMNATRPA1
SCHEMBL8911589 0.76 TRPA1 (0.48) CYP1A2TRPA1ALDH1A1CYP3A4HSD17B10
SCHEMBL7014933 0.76 TRPA1 (0.53) CYP1A2CYP2D6CYP2C19LMNATRPA1
SCHEMBL15156831 0.74 TRPA1 (0.51) CYP1A2LMNATRPA1ALDH1A1CYP3A4
SCHEMBL7019918 0.74 GAA (0.54) CYP1A2CYP2D6CYP2C19LMNATRPA1
SCHEMBL7018825 0.73 TRPA1 (0.53) CYP1A2CYP2C19TRPA1ALDH1A1CYP3A4
SCHEMBL17120704 0.73 KDM4E (0.47) CYP1A2LMNATRPA1ALDH1A1CYP3A4
SCHEMBL6955715 0.72 LMNA (0.96) CYP1A2CYP2D6CYP2C19LMNAALDH1A1

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