SCHEMBL4615012

SCHEMBL4615012

COC(=O)NC(=O)[C@@H]1CCCN1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.47
DPP7 Q9UHL4 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
TLR2 O60603 2/20 0.40
HTR2C P28335 4/20 0.39
HTR2B P41595 2/20 0.38
NOS2 P35228 2/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
HTR2A P28223 1/20 0.37
DPP4 P27487 1/20 0.37

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
SCHEMBL5794043 0.84 PRCP (0.51) PRCPDPP7TLR2HTR2CHTR2B
SCHEMBL17375666 0.84 PRCP (0.51) PRCPDPP7TLR2HTR2CHTR2B
SCHEMBL17375664 0.84 PRCP (0.51) PRCPDPP7TLR2HTR2CHTR2B
SCHEMBL373560 0.83 PRCP (0.43) PRCPDPP7KDM4ECYP3A4CYP2D6
SCHEMBL7299117 0.83 PRCP (0.43) PRCPDPP7KDM4ECYP3A4CYP2D6
SCHEMBL28232408 0.83 PRCP (0.43) PRCPDPP7KDM4ECYP3A4CYP2D6
Hydrochloric Acid SCHEMBL28132269 0.82 PRCP (0.50) PRCPDPP7TLR2HTR2CHTR2B
SCHEMBL3862863 0.81 PRCP (0.50) PRCPDPP7KDM4ETLR2HTR2C
SCHEMBL809691 0.81 PRCP (0.50) PRCPDPP7KDM4ETLR2HTR2C
SCHEMBL3862861 0.81 PRCP (0.50) PRCPDPP7KDM4ETLR2HTR2C

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-1912662-A2 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2008-04-23 EP disclosed
WO-2007016364-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-08 WO disclosed