SCHEMBL17152249

SCHEMBL17152249

C[C@@H](C[CH]C(=O)N1CC[C@H](N(C)C)C1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
L3MBTL3 Q96JM7 1/20 0.36
BTK Q06187 3/20 0.35
HRH3 Q9Y5N1 4/20 0.33
MCHR1 Q99705 2/20 0.33
PDK2 Q15119 1/20 0.32

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
SCHEMBL17152435 1.00 KDM1A (0.37) KDM1AMAOAMAOBL3MBTL3BTK
SCHEMBL17152371 0.87 POLR1A (0.34) BTK
SCHEMBL17152479 0.82 DPP4 (0.47)
SCHEMBL17152358 0.82 FGFR1 (0.32)
SCHEMBL17152194 0.79 DRD3 (0.35)
SCHEMBL17152542 0.76 L3MBTL3 (0.40) L3MBTL3HRH3MCHR1
SCHEMBL17152254 0.76 DPP4 (0.38)
SCHEMBL17152419 0.75 KDM4E (0.36) L3MBTL3
SCHEMBL17152305 0.75 AGTR2 (0.44) MCHR1
SCHEMBL17152625 0.75 HRH3 (0.33) HRH3

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