SCHEMBL15618587

SCHEMBL15618587

COC(=O)c1ccc(NC2CCCCC2C)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 5/20 0.56
▸ HPGD P15428 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.52
▸ VCAM1 P19320 1/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL15618364 1.00 HCAR3 (0.56) HCAR3HPGDALDH1A1VCAM1KMT2A
SCHEMBL15618326 0.98 HCAR3 (0.56) HCAR3HPGDALDH1A1VCAM1KMT2A
SCHEMBL15618466 0.85 HCAR3 (0.53) HCAR3HPGDALDH1A1VCAM1KMT2A
SCHEMBL15618376 0.85 HCAR3 (0.53) HCAR3HPGDALDH1A1VCAM1KMT2A
SCHEMBL5065370 0.84 HCAR3 (0.74) HCAR3HPGDALDH1A1VCAM1KMT2A
SCHEMBL5838082 0.83 HCAR3 (0.76) HCAR3HPGDALDH1A1VCAM1KMT2A
SCHEMBL23970849 0.83 HCAR3 (0.75) HCAR3HPGDALDH1A1VCAM1KMT2A
SCHEMBL17166472 0.82 SMN1; SMN2 (0.56) HPGDALDH1A1MAPT
SCHEMBL17166478 0.82 SMN1; SMN2 (0.56) HPGDALDH1A1MAPT
SCHEMBL15618453 0.81 ALOX15 (0.55) HPGDALDH1A1MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2897939-B1 BENZOIMIDAZOLE-CARBOXYLIC ACID AMIDE DERIVATIVES FOR TREATING METABOLIC OR CARDIOVASCULAR DISEASES SANOFI SA (FR) 2017-02-01 — — EP disclosed
EP-2897939-B1 BENZOIMIDAZOLE-CARBOXYLIC ACID AMIDE DERIVATIVES FOR TREATING METABOLIC OR CARDIOVASCULAR DISEASES SANOFI SA (FR) 2017-02-01 — — EP disclosed
US-9156796-B2 Benzoimidazole-carboxylic acid amide derivatives as APJ receptor modulators SANOFI (FR) 2015-10-13 — — US disclosed
US-9156796-B2 Benzoimidazole-carboxylic acid amide derivatives as APJ receptor modulators SANOFI (FR) 2015-10-13 — — US disclosed
EP-2897939-A1 BENZOIMIDAZOLE-CARBOXYLIC ACID AMIDE DERIVATIVES AS APJ RECEPTOR MODULATORS SANOFI (FR) 2015-07-29 — — EP disclosed
WO-2014044738-A1 BENZOIMIDAZOLE-CARBOXYLIC ACID AMIDE DERIVATIVES AS APJ RECEPTOR MODULATORS SANOFI (FR) 2014-03-27 — — WO disclosed
WO-2014044738-A1 BENZOIMIDAZOLE-CARBOXYLIC ACID AMIDE DERIVATIVES AS APJ RECEPTOR MODULATORS SANOFI (FR) 2014-03-27 — — WO disclosed
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