SCHEMBL17152607

SCHEMBL17152607

CCC(C)NC(=O)[C@@H](N)CC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.48
SCN9A Q15858 3/20 0.47
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
LARS1 Q9P2J5 3/20 0.41
ANPEP P15144 3/20 0.41
RNPEP Q9H4A4 2/20 0.41
DNPEP Q9ULA0 2/20 0.41
AAK1 Q2M2I8 1/20 0.40
EPHX1 P07099 1/20 0.40
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL8268603 1.00 SLC7A5 (0.48) SLC7A5SCN9AMMP1MMP2MMP3
SCHEMBL17152494 0.88 SLC7A5 (0.52) SLC7A5SCN9ALARS1ANPEPRNPEP
SCHEMBL15958714 0.84 SLC7A5 (0.48) SLC7A5SCN9AMMP1MMP2LARS1
SCHEMBL16327076 0.84 SLC7A5 (0.48) SLC7A5SCN9AMMP1MMP2LARS1
SCHEMBL26290433 0.81 SLC7A5 (0.54) SLC7A5SCN9ALARS1ANPEPRNPEP
SCHEMBL10296149 0.81 SLC7A5 (0.54) SLC7A5SCN9ALARS1ANPEPRNPEP
SCHEMBL18774984 0.81 SLC7A5 (0.54) SLC7A5SCN9ALARS1ANPEPRNPEP
SCHEMBL20366284 0.81 SLC7A5 (0.45) SLC7A5SCN9ALARS1ANPEPRNPEP
SCHEMBL22369891 0.80 MMP2 (0.42) MMP1MMP2MMP3EPHX1PKM
SCHEMBL8269796 0.79 SLC7A5 (0.44) SLC7A5SCN9ALARS1ANPEPRNPEP

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