SCHEMBL15627768

SCHEMBL15627768

CC(C)C[C@H](NC(=O)c1ccc2c(c1)nc(Cc1cccs1)n2C1CCCC[C@H]1C)[C@H](O)CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.56
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 1/20 0.34
CCR1 P32246 5/20 0.34
YEATS4 O95619 2/20 0.34
KCNH2 Q12809 2/20 0.34
BCAT2 O15382 1/20 0.34
RORC P51449 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
IDH1 O75874 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL18432894 1.00 APLNR (0.56) APLNRALDH1A1HPGDNPC1LMNA
SCHEMBL17152354 1.00 APLNR (0.56) APLNRALDH1A1HPGDNPC1LMNA
SCHEMBL17152593 1.00 APLNR (0.56) APLNRALDH1A1HPGDNPC1LMNA
SCHEMBL15627769 1.00 APLNR (0.56) APLNRALDH1A1HPGDNPC1LMNA
SCHEMBL17152282 0.91 APLNR (0.48) APLNRALDH1A1HPGDNPC1LMNA
SCHEMBL15627757 0.91 APLNR (0.48) APLNRALDH1A1HPGDNPC1LMNA
SCHEMBL18433166 0.91 APLNR (0.48) APLNRALDH1A1HPGDNPC1LMNA
SCHEMBL17152471 0.91 APLNR (0.48) APLNRALDH1A1HPGDNPC1LMNA
SCHEMBL17152296 0.91 APLNR (0.68) APLNRALDH1A1HPGDNPC1LMNA
SCHEMBL15627839 0.91 APLNR (0.68) APLNRALDH1A1HPGDNPC1LMNA

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 2 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
WO-2014044738-A1 BENZOIMIDAZOLE-CARBOXYLIC ACID AMIDE DERIVATIVES AS APJ RECEPTOR MODULATORS SANOFI (FR) 2014-03-27 WO disclosed