SCHEMBL17152173

SCHEMBL17152173

C[C@@H](C[CH]C(=O)NCCN(C)C)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
PKM P14618 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP1A2 P05177 1/20 0.32
ANPEP P15144 1/20 0.32
EGFR P00533 1/20 0.32
SRC P12931 1/20 0.32
PRSS1 P07477 1/20 0.31
TMPRSS15 P98073 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL17152487 0.91 KDM4E (0.46) DNM1KDM4EALDH1A1HTTMEN1
SCHEMBL17152661 0.89 KDM4E (0.46) DNM1KDM4EALDH1A1HTTMEN1
SCHEMBL17152295 0.79 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPK1HPGD
SCHEMBL17152234 0.78 ALDH1A1 (0.48) KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL17152213 0.77 HPGD (0.38) KDM4EALDH1A1MEN1KMT2ACA1
SCHEMBL17152461 0.76 EPHX2 (0.38) ALDH1A1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL17152481 0.76 ALDH1A1 (0.34) ALDH1A1
SCHEMBL15618404 0.76 CA1 (0.31) CA1CA2CA12CA9
SCHEMBL17152540 0.76 MAPT (0.31)
SCHEMBL17152597 0.76

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