SCHEMBL15618596

SCHEMBL15618596

C[C@@H](C[CH]C(=O)NC1CCC1)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 2/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 2/20 0.36
EPHX2 P34913 2/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ATM Q13315 1/20 0.34
CYP1A2 P05177 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
SCHEMBL17152483 0.97 EPHX1 (0.41) EPHX1SMN1; SMN2GAANPC1HTT
SCHEMBL4078142 0.87 EPHX1 (0.42) EPHX1SMN1; SMN2GAANPC1HTT
SCHEMBL17152289 0.86 OPRK1 (0.34) SMN1; SMN2NPC1RAB9A
SCHEMBL17152280 0.85 EPHX2 (0.35) EPHX2ALDH1A1
SCHEMBL17152226 0.84 ALDH1A1 (0.41) ALDH1A1
SCHEMBL17152404 0.83 SMN1; SMN2 (0.43) EPHX1SMN1; SMN2GAAEPHX2ALDH1A1
SCHEMBL17152502 0.82 PARP1 (0.41) SMN1; SMN2NPC1RAB9AEPHX2ALDH1A1
SCHEMBL17152590 0.81 MEN1 (0.40) ALDH1A1
SCHEMBL17152152 0.81 MEN1 (0.40) ALDH1A1
SCHEMBL17152489 0.81 KMT2A (0.44) EPHX1SMN1; SMN2EPHX2HPGDALDH1A1

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 4 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
EP-2897939-A1 BENZOIMIDAZOLE-CARBOXYLIC ACID AMIDE DERIVATIVES AS APJ RECEPTOR MODULATORS SANOFI (FR) 2015-07-29 EP disclosed
WO-2014044738-A1 BENZOIMIDAZOLE-CARBOXYLIC ACID AMIDE DERIVATIVES AS APJ RECEPTOR MODULATORS SANOFI (FR) 2014-03-27 WO disclosed