SCHEMBL1907495

SCHEMBL1907495

CCC(CC)(C(N)=O)C1CCCN1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP2D6 P10635 2/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
PRCP P42785 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
GLI1 P08151 1/20 0.32
MEN1 O00255 1/20 0.32
BLM P54132 1/20 0.32
DPP7 Q9UHL4 1/20 0.30

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
SCHEMBL15995652 0.76 NOS2 (0.36) NOS2KDM4ECYP2D6NPC1CYP1A2
SCHEMBL717000 0.76 NOS2 (0.36) NOS2KDM4ECYP2D6NPC1CYP1A2
SCHEMBL717921 0.76 NOS2 (0.36) NOS2KDM4ECYP2D6NPC1CYP1A2
SCHEMBL1907489 0.75 PRCP (0.34) NOS2KDM4ECYP2D6NPC1CYP1A2
SCHEMBL1907491 0.75 PRCP (0.31) NOS2KDM4ECYP2D6NPC1CYP1A2
SCHEMBL16165634 0.72 KDM4E (0.40) NOS2KDM4ECYP2D6NPC1CYP1A2
SCHEMBL14622051 0.71 KDM4E (0.42) NOS2KDM4ECYP2D6NPC1CYP1A2
SCHEMBL5447760 0.71 KDM4E (0.42) NOS2KDM4ECYP2D6NPC1CYP1A2
SCHEMBL8283621 0.70 CCR2 (0.33) NOS2KDM4ECYP2D6NPC1CYP1A2
SCHEMBL8471413 0.70 CCR2 (0.33) NOS2KDM4ECYP2D6NPC1CYP1A2

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-2493846-A1 2-ARYL-PROPIONAMIDE DERIVATIVES USEFUL AS BRADYKININ RECEPTOR ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompe S.p.A. (IT) 2012-09-05 EP disclosed
WO-2011051375-A1 2-ARYL-PROPIONAMIDE DERIVATIVES USEFUL AS BRADYKININ RECEPTOR ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompé S.p.A. (IT) 2011-05-05 WO disclosed