SCHEMBL7025809

SCHEMBL7025809

N#Cc1ccccc1-c1ccc2[nH]c(CN3CCCC3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.59
HSD17B10 Q99714 3/20 0.59
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 2/20 0.59
DRD4 P21917 9/20 0.57
HTT P42858 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.48
TRPA1 O75762 1/20 0.47
MLLT1 Q03111 1/20 0.43
ACP1 P24666 1/20 0.43
DRD2 P14416 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
NPY5R Q15761 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2C P18825 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
SCHEMBL7014933 0.81 TRPA1 (0.53) HPGDHSD17B10ALDH1A1KDM4EDRD4
SCHEMBL22814343 0.79 NLRP3 (0.50) HPGDHSD17B10ALDH1A1KDM4EDRD4
SCHEMBL7019918 0.79 GAA (0.54) HPGDHSD17B10ALDH1A1KDM4ETRPA1
SCHEMBL7020541 0.78 TRPA1 (0.50) HPGDHSD17B10ALDH1A1KDM4EDRD4
SCHEMBL8911589 0.76 TRPA1 (0.48) HPGDHSD17B10ALDH1A1TRPA1CYP1A2
SCHEMBL12045417 0.74 HTT (0.97) HPGDHSD17B10ALDH1A1KDM4EDRD4
SCHEMBL29368802 0.74 HTT (0.97) HPGDHSD17B10ALDH1A1KDM4EDRD4
SCHEMBL8913033 0.74 GRIN2B (0.42) DRD4MEN1KMT2A
SCHEMBL7015221 0.74 TRPA1 (0.57) HPGDHSD17B10ALDH1A1KDM4ETRPA1
SCHEMBL22633621 0.73 HTT (1.00) HPGDHSD17B10ALDH1A1KDM4EDRD4

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