SCHEMBL4673438

SCHEMBL4673438

COC(=O)NC1(CNc2ccc(C)nc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.40
GRM5 P41594 2/20 0.39
NPSR1 Q6W5P4 1/20 0.36
DDX3X O00571 1/20 0.35
FPR3 P25089 1/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
NAMPT P43490 1/20 0.34
ALOX12 P18054 1/20 0.34
VNN1 O95497 1/20 0.34
GABRA1 P14867 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NOTUM Q6P988 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL4669013 0.79 SYK (0.39) FPR2GRM5NPSR1DDX3XFPR3
Hydrochloric Acid SCHEMBL4821983 0.77 SYK (0.39) FPR2GRM5FPR3
SCHEMBL4817839 0.74 GRM5 (0.39) FPR2GRM5NPSR1DDX3XFPR3
SCHEMBL31129251 0.72 NPSR1 (0.56) FPR2NPSR1KCNQ3KCNQ2ALDH1A1
SCHEMBL9272088 0.72 PTGDR2 (0.37) ALDH1A1NAMPT
SCHEMBL4673434 0.68 GRM5 (0.37) FPR2GRM5NPSR1DDX3XFPR3
SCHEMBL4670847 0.66 TNF (0.38) KCNQ3KCNQ2GAAL3MBTL1
SCHEMBL20037521 0.66 KCNQ3 (0.40) NPSR1KCNQ3KCNQ2ALDH1A1SMN1; SMN2
SCHEMBL20038016 0.65 NPSR1 (0.42) GRM5NPSR1KCNQ3KCNQ2ALDH1A1
SCHEMBL27659806 0.65 DGAT1 (0.37) FPR2FPR3SMN1; SMN2NPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1757586-B1 POLYSBUSTITUIRTE 1,1-PYRIDINYLAMINOCYCLOPROPANAMIN DERIVATE, VERFAHREN ZU DEREN HERSTELLUNG UND DIESE ENTHALTENDE PHARMATUETISCHE ZUSAMMENSETZUNG SERVIER LAB (FR) 2008-12-03 EP disclosed
EP-1757586-A1 POLYSBUSTITUIRTE 1,1-PYRIDINYLAMINOCYCLOPROPANAMIN DERIVATE, VERFAHREN ZU DEREN HERSTELLUNG UND DIESE ENTHALTENDE PHARMATUETISCHE ZUSAMMENSETZUNG Les Laboratoires Servier (FR) 2007-02-28 EP disclosed
WO-2007012761-A1 NOVEL POLYSUBSTITUTED 1,1-PYRIDINYL AMINOCYCLOPROPANAMINE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2007-02-01 WO disclosed