SCHEMBL17152168

SCHEMBL17152168

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

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.57
HPGD P15428 3/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
YEATS4 O95619 3/20 0.37
KCNH2 Q12809 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ITK Q08881 3/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
HDAC6 Q9UBN7 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
RORC P51449 1/20 0.35
GAA P10253 1/20 0.34
BCAT2 O15382 1/20 0.34
HDAC1 Q13547 1/20 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
SCHEMBL15627654 1.00 APLNR (0.57) APLNRHPGDNPC1ALDH1A1LMNA
SCHEMBL15627829 0.96 APLNR (0.58) APLNRHPGDNPC1ALDH1A1LMNA
SCHEMBL15627653 0.96 APLNR (0.58) APLNRHPGDNPC1ALDH1A1LMNA
SCHEMBL18432976 0.91 APLNR (0.58) APLNRHPGDNPC1ALDH1A1LMNA
SCHEMBL15627839 0.90 APLNR (0.68) APLNRHPGDNPC1ALDH1A1LMNA
SCHEMBL15627658 0.90 APLNR (0.56) APLNRHPGDNPC1ALDH1A1LMNA
SCHEMBL17152420 0.90 APLNR (0.47) APLNRHPGDNPC1ALDH1A1LMNA
SCHEMBL17152296 0.90 APLNR (0.68) APLNRHPGDNPC1ALDH1A1LMNA
SCHEMBL15618586 0.90 APLNR (0.56) APLNRHPGDNPC1ALDH1A1LMNA
SCHEMBL17152417 0.90 APLNR (0.47) APLNRHPGDNPC1ALDH1A1LMNA

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