SCHEMBL5502343

SCHEMBL5502343

NC(=O)C1C[C@H](F)CN1C(=O)CCl

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.40
CNR2 P34972 4/20 0.38
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35
PEPD P12955 1/20 0.35
XPNPEP1 Q9NQW7 1/20 0.35
DPP4 P27487 6/20 0.33
DPP8 Q6V1X1 3/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
CFD P00746 2/20 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
SCHEMBL756230 1.00 PIN1 (0.40) PIN1CNR2MAOAMAOBPEPD
SCHEMBL3725157 1.00 PIN1 (0.40) PIN1CNR2MAOAMAOBPEPD
SCHEMBL1334680 0.84 DPP4 (0.34) PEPDXPNPEP1DPP4DPP8DPP9
SCHEMBL1336107 0.84 DPP4 (0.34) PEPDXPNPEP1DPP4DPP8DPP9
SCHEMBL1334552 0.84 DPP4 (0.34) PEPDXPNPEP1DPP4DPP8DPP9
SCHEMBL1334677 0.84 DPP4 (0.34) PEPDXPNPEP1DPP4DPP8DPP9
SCHEMBL1334675 0.84 DPP4 (0.34) PEPDXPNPEP1DPP4DPP8DPP9
SCHEMBL1493709 0.84 PIN1 (0.40) PIN1CNR2MAOAMAOBPEPD
SCHEMBL12757999 0.84 PIN1 (0.40) PIN1CNR2MAOAMAOBPEPD
SCHEMBL10110426 0.83 PIN1 (0.42) PIN1CNR2PEPDXPNPEP1DPP4

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-1737863-A2 2-CYANOPYRROLIDINECARBOXAMIDES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS Astellas Pharma Inc. (JP) 2007-01-03 EP disclosed
WO-2005042533-A2 2-CYANOPYRROLIDINECARBOXAMIDES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS ASTELLAS PHARMA INC. (JP) 2005-05-12 WO disclosed