SCHEMBL7020545

SCHEMBL7020545

CN(C)Cc1nc2ccc(-c3ccccc3C#N)cc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
CYP1A2 P05177 6/20 0.48
CYP3A4 P08684 6/20 0.48
HSD17B10 Q99714 5/20 0.48
HPGD P15428 4/20 0.48
TRPA1 O75762 1/20 0.47
MAPK1 P28482 3/20 0.44
CLK4 Q9HAZ1 3/20 0.44
USP2 O75604 2/20 0.44
CYP2D6 P10635 2/20 0.44
TSHR P16473 2/20 0.44
CYP2C19 P33261 2/20 0.44
LMNA P02545 2/20 0.44
PDE10A Q9Y233 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL7020541 0.90 TRPA1 (0.50) ALDH1A1CYP1A2CYP3A4HSD17B10HPGD
SCHEMBL9101302 0.84 TRPA1 (0.50) ALDH1A1CYP1A2CYP3A4HSD17B10HPGD
SCHEMBL8911595 0.81 POLB (0.46) ALDH1A1CYP1A2CYP3A4HSD17B10HPGD
SCHEMBL7021611 0.79 RAB9A (0.56) ALDH1A1CYP1A2CYP3A4HSD17B10HPGD
SCHEMBL7014933 0.73 TRPA1 (0.53) ALDH1A1CYP1A2CYP3A4HSD17B10HPGD
SCHEMBL4118942 0.72 BCHE (0.69) CYP1A2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL7019918 0.72 GAA (0.54) ALDH1A1CYP1A2CYP3A4HSD17B10HPGD
SCHEMBL8911589 0.71 TRPA1 (0.48) ALDH1A1CYP1A2CYP3A4HSD17B10HPGD
SCHEMBL23542124 0.71 TAAR1 (0.55) ALDH1A1CYP1A2CYP3A4HSD17B10HPGD
SCHEMBL7014174 0.71 TRPA1 (0.53) ALDH1A1CYP1A2CYP3A4HSD17B10HPGD

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