SCHEMBL7022758

SCHEMBL7022758

CCCCCCC(C(=O)OCC)n1cc2cc(-c3ccccc3C#N)ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
TDP1 Q9NUW8 6/20 0.38
KDM4E B2RXH2 5/20 0.38
L3MBTL1 Q9Y468 5/20 0.38
LMNA P02545 3/20 0.38
HPGD P15428 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
HDAC8 Q9BY41 4/20 0.37
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTT P42858 2/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL7018067 0.81 HTT (0.39) ALDH1A1TDP1KDM4EL3MBTL1LMNA
SCHEMBL7024786 0.81 NR3C1 (0.43) ALDH1A1TDP1KDM4EL3MBTL1LMNA
SCHEMBL7017667 0.80 PPARG (0.38) ALDH1A1TDP1KDM4EL3MBTL1LMNA
SCHEMBL7015212 0.71 GABRA1 (0.42) ALDH1A1HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL7016786 0.69 GABRA1 (0.35) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL7016789 0.67 GABRA1 (0.35) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL7020261 0.67 PPARG (0.36) L3MBTL1PPARG
SCHEMBL8466650 0.65 ALDH1A1 (0.49) ALDH1A1TDP1KDM4EL3MBTL1HPGD
SCHEMBL9846022 0.64 FFAR1 (0.47) AGTR1AGTR2PPARG
SCHEMBL1895025 0.64 MME (0.46) ALDH1A1L3MBTL1AGTR1AGTR2PPARG

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