SCHEMBL6258306

SCHEMBL6258306

CNC(=O)C#Cc1ccc(F)cc1.O=C(O)N1CCCC(F)C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.45
DPP8 Q6V1X1 9/20 0.45
DPP7 Q9UHL4 10/20 0.41
DPP9 Q86TI2 4/20 0.39
KCNH2 Q12809 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPR183 P32249 2/20 0.37
RAB9A P51151 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL6250333 0.86 GPR183 (0.43) GPR183RAB9AGFER
SCHEMBL6254331 0.85 KMT2A (0.43) ALDH1A1GPR183GFER
SCHEMBL14737095 0.76 GRM3 (0.44) ALDH1A1SMN1; SMN2GPR183RAB9A
SCHEMBL666992 0.76 APP (0.49) ALDH1A1SMN1; SMN2GPR183RAB9AGFER
SCHEMBL15011796 0.71 DPP4 (0.43) DPP4DPP8DPP7DPP9ALDH1A1
SCHEMBL17143263 0.71 DPP4 (0.43) DPP4DPP8DPP7DPP9ALDH1A1
SCHEMBL4099888 0.67 RAB9A (0.57) ALDH1A1SMN1; SMN2RAB9A
SCHEMBL31686146 0.66 POLB (0.48) DPP4DPP8DPP7DPP9RAB9A
SCHEMBL1657048 0.65 AR (0.50) DPP4DPP7
SCHEMBL25010712 0.64 DPP4 (0.42) DPP4DPP8DPP7DPP9ALDH1A1

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-1517894-A1 N-BENZYL-3-PHENYL-3-HETEROCYCLYL-PROPIONAMIDE COMPOUNDS AS TACHYKININ ANTAGONISTS AND/OR SEROTONIN REUPTAKE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-03-30 EP disclosed
WO-2004005255-A1 N-BENZYL-3-PHENYL-3-HETEROCYCLYL-PROPIONAMIDE COMPOUNDS AS TACHYKININ AND/ OR SEROTONIN REUPTAKE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-01-15 WO disclosed