SCHEMBL17152309

SCHEMBL17152309

CC[C@H](C)[C@@H](CC(=O)O)NC(=O)c1ccc2c(c1)nc(Cc1cccs1)n2[C@@H]1CCCC[C@H]1C

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.55
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
YEATS4 O95619 3/20 0.37
KCNH2 Q12809 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
RORC P51449 1/20 0.35
ITK Q08881 4/20 0.34
BCAT2 O15382 2/20 0.34
IDH1 O75874 2/20 0.33
PPARG P37231 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
SCHEMBL15627982 1.00 APLNR (0.55) APLNRNPC1ALDH1A1LMNAHPGD
SCHEMBL17152618 0.93 APLNR (0.51) APLNRNPC1ALDH1A1LMNAHPGD
SCHEMBL15627765 0.93 APLNR (0.51) APLNRNPC1ALDH1A1LMNAHPGD
SCHEMBL18433104 0.91 APLNR (0.48) APLNRNPC1ALDH1A1LMNAHPGD
SCHEMBL17152656 0.90 APLNR (0.51) APLNRNPC1ALDH1A1LMNAHPGD
SCHEMBL15627902 0.90 APLNR (0.51) APLNRNPC1ALDH1A1LMNAHPGD
SCHEMBL18432894 0.88 APLNR (0.56) APLNRNPC1ALDH1A1LMNAHPGD
SCHEMBL15627769 0.88 APLNR (0.56) APLNRNPC1ALDH1A1LMNAHPGD
SCHEMBL15627768 0.88 APLNR (0.56) APLNRNPC1ALDH1A1LMNAHPGD
SCHEMBL17152354 0.88 APLNR (0.56) APLNRNPC1ALDH1A1LMNAHPGD

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 5 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 claimed
US-9156796-B2 Benzoimidazole-carboxylic acid amide derivatives as APJ receptor modulators SANOFI (FR) 2015-10-13 US claimed
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