SCHEMBL17152156

SCHEMBL17152156

COC[C@@H]1CCCN1C(=O)[CH]C[C@H](C)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.39
DPP8 Q6V1X1 3/20 0.39
POLB P06746 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CNR2 P34972 1/20 0.34
ADORA2A P29274 4/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
ENPP2 Q13822 1/20 0.34
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
RAB9A P51151 1/20 0.33
HDAC1 Q13547 1/20 0.33
PRMT5 O14744 1/20 0.33
SOS1 Q07889 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
SCHEMBL17152622 1.00 DPP4 (0.39) DPP4DPP8POLBL3MBTL1CNR2
SCHEMBL17152504 0.79 ENPP2 (0.36) POLBENPP2RAB9A
SCHEMBL17152317 0.76 ENPP2 (0.34) ENPP2
SCHEMBL2849479 0.76 POLB (0.43) DPP4DPP8POLBL3MBTL1CNR2
SCHEMBL5079416 0.76 POLB (0.43) DPP4DPP8POLBL3MBTL1CNR2
SCHEMBL2843566 0.76 POLB (0.43) DPP4DPP8POLBL3MBTL1CNR2
SCHEMBL25637926 0.75 BTK (0.41) DPP4DPP8POLBL3MBTL1CNR2
SCHEMBL9309085 0.75 BTK (0.41) DPP4DPP8POLBL3MBTL1CNR2
SCHEMBL17152254 0.74 DPP4 (0.38) DPP4POLBENPP2RAB9A
SCHEMBL24735808 0.73 DPP4 (0.43) DPP4DPP8POLBL3MBTL1CNR2

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