SCHEMBL17152152

SCHEMBL17152152

C[C@@H](C[CH]C(=O)NC1C[C@H]2CC[C@@H](C1)N2C)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HTR4 Q13639 4/20 0.37
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HTR3A P46098 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL17152590 1.00 MEN1 (0.40) MEN1KMT2AL3MBTL1HTR4TMEM97
SCHEMBL17152226 0.95 ALDH1A1 (0.41) MEN1KMT2AHTR3AALDH1A1
SCHEMBL17152280 0.82 EPHX2 (0.35) SIGMAR1ALDH1A1
SCHEMBL15618596 0.81 EPHX1 (0.38) ALDH1A1
SCHEMBL17152483 0.81 EPHX1 (0.41) ALDH1A1CYP3A4
SCHEMBL17152489 0.77 KMT2A (0.44) MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL17152289 0.77 OPRK1 (0.34)
SCHEMBL17152404 0.77 SMN1; SMN2 (0.43) MEN1KMT2AL3MBTL1HTR4ALDH1A1
SCHEMBL17152502 0.76 PARP1 (0.41) HTR4ALDH1A1
SCHEMBL9366512 0.73 MEN1 (0.51) MEN1KMT2AL3MBTL1HTR4ALDH1A1

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