SCHEMBL7024786

SCHEMBL7024786

CCCCCCC(C(=O)OCC)n1ncc2cc(-c3ccccc3C#N)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.43
HDAC8 Q9BY41 11/20 0.42
GCGR P47871 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA2 P47869 1/20 0.37
TRPA1 O75762 1/20 0.36
CACNA1C Q13936 1/20 0.36
ABL1 P00519 1/20 0.35

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
SCHEMBL7017667 0.84 PPARG (0.38) NR3C1KDM4EALDH1A1LMNACYP1A2
SCHEMBL7018067 0.82 HTT (0.39) KDM4EALDH1A1LMNACYP1A2CYP3A4
SCHEMBL7022758 0.81 ALDH1A1 (0.38) HDAC8KDM4EALDH1A1LMNACYP1A2
SCHEMBL7015212 0.73 GABRA1 (0.42) ALDH1A1CYP1A2CYP3A4HPGDCYP2C19
SCHEMBL7020261 0.70 PPARG (0.36) NR3C1L3MBTL1ABL1
SCHEMBL7016786 0.70 GABRA1 (0.35) KDM4EALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL7016789 0.69 GABRA1 (0.35) KDM4EALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL29167254 0.66 MAPT (0.34) KDM4EALDH1A1LMNACYP1A2CYP3A4
SCHEMBL8931804 0.66 GABRA1 (0.42) KDM4EALDH1A1LMNACYP1A2CYP3A4
SCHEMBL29167237 0.64 FFAR4 (0.38) LMNATDP1

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