SCHEMBL15618541

SCHEMBL15618541

COC(=O)c1ccc(N(C)C2CCCCC2)c([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.64
▸ LMNA P02545 3/20 0.64
▸ NPC1 O15118 1/20 0.64
▸ RAB9A P51151 1/20 0.64
▸ HPGD P15428 2/20 0.63
▸ MAPT P10636 5/20 0.61
▸ ALDH1A1 P00352 5/20 0.55
▸ VCAM1 P19320 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.48
▸ HCAR3 P49019 1/20 0.47
▸ OPRK1 P41145 1/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ PPARG P37231 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL1528453 0.91 HPGD (0.60) HTTLMNANPC1RAB9AHPGD
SCHEMBL2773641 0.86 LMNA (0.67) HTTLMNANPC1RAB9AMAPT
SCHEMBL1110902 0.81 HCAR3 (0.70) HTTLMNANPC1RAB9AHPGD
SCHEMBL21250340 0.81 VCAM1 (0.57) HTTLMNANPC1RAB9AHPGD
SCHEMBL28434283 0.80 LMNA (0.50) HTTLMNANPC1RAB9AHPGD
SCHEMBL14042638 0.79 ALDH1A1 (0.45) HTTLMNANPC1RAB9AHPGD
SCHEMBL3901403 0.78 HPGD (0.65) HTTLMNAHPGDMAPTALDH1A1
SCHEMBL1136265 0.77 HTT (0.56) HTTLMNANPC1RAB9AMAPT
SCHEMBL4205262 0.77 VCAM1 (0.59) LMNAHPGDMAPTALDH1A1VCAM1
SCHEMBL30936624 0.77 HTT (0.56) HTTLMNANPC1RAB9AMAPT

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 4 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
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
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