SCHEMBL4673434

SCHEMBL4673434

Cc1ccc(NCC2(OC(N)=O)CC2C)cn1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.37
NPSR1 Q6W5P4 1/20 0.34
FPR2 P25090 2/20 0.34
DDX3X O00571 1/20 0.34
FPR3 P25089 1/20 0.34
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNB3 Q05901 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
SYK P43405 1/20 0.33
KCNH2 Q12809 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL4817839 0.68 GRM5 (0.39) GRM5NPSR1FPR2DDX3XFPR3
SCHEMBL4673438 0.68 FPR2 (0.40) GRM5NPSR1FPR2DDX3XFPR3
SCHEMBL31637545 0.67 FPR2 (0.36) FPR2FPR3NPC1RAB9A
SCHEMBL4669013 0.65 SYK (0.39) GRM5NPSR1FPR2DDX3XFPR3
SCHEMBL4007229 0.64 NPSR1 (0.54) NPSR1FPR2KCNQ3KCNQ2NPC1
Hydrochloric Acid SCHEMBL4821983 0.64 SYK (0.39) GRM5FPR2FPR3SYK
SCHEMBL20038016 0.63 NPSR1 (0.42) GRM5NPSR1KCNQ3KCNQ2SYK
SCHEMBL30421055 0.62 NPSR1 (0.55) NPSR1KCNQ3KCNQ2NPC1RAB9A
SCHEMBL1430701 0.62 NPSR1 (0.55) NPSR1KCNQ3KCNQ2NPC1RAB9A
SCHEMBL3632606 0.62 ADRA2A (0.50) NPSR1KCNQ3KCNQ2

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