SCHEMBL3837699

SCHEMBL3837699

CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.49
SLC6A4 P31645 10/20 0.49
IDO1 P14902 1/20 0.44
AKT1 P31749 2/20 0.44
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
SLC6A3 Q01959 2/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
ACKR3 P25106 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL31687468 0.85 ACKR3 (0.55) IDO1AKT1ACKR3SIGMAR1
SCHEMBL16096578 0.82 EPHX1 (0.40) SLC6A2SLC6A4CKS1BSKP1SKP2
SCHEMBL30606540 0.79 KDM4E (0.47) IDO1OPRM1OPRK1
SCHEMBL26599282 0.79 KDM4E (0.47) IDO1OPRM1OPRK1
SCHEMBL20506777 0.77 AKT1 (0.58) IDO1AKT1CKS1BSKP1SKP2
SCHEMBL7834047 0.77 DRD2 (0.47) SLC6A2SLC6A4IDO1CKS1BSKP1
SCHEMBL4622655 0.76 EPHX1 (0.44) CKS1BSKP1SKP2
SCHEMBL22833183 0.76 CTSL (0.54) IDO1AKT1CKS1BSKP1SKP2
SCHEMBL1459336 0.76 SIGMAR1 (0.55) IDO1AKT1CKS1BSKP1SKP2
SCHEMBL7821922 0.75 SLC6A2 (0.39) SLC6A2SLC6A4IDO1CKS1BSKP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2111395-A1 NEW PHENYL- (4-PHENYL-PYRIMIDIN-2-YL) - AMINES DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF ESSENTIALLY AS IKK INHIBITORS Sanofi-Aventis (FR) 2009-10-28 EP disclosed
WO-2008099074-A1 PHENYL- (4-PHENYL-PYRIMIDIN-2-YL) - AMINE DERIVATIVES AS IKK INHIBITORS, PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS THEREOF SANOFI-AVENTIS (FR) 2008-08-21 WO disclosed
EP-1948704-A1 PROCESS FOR THE MANUFACTURE OF FLUOROELASTOMERS HAVING BROMINE OR IODINE ATOM CURE SITES DuPont Performance Elastomers L.L.C. (US) 2008-07-30 EP disclosed
EP-1904479-A2 NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS Sanofi-Aventis (FR) 2008-04-02 EP disclosed
WO-2007050933-A1 PROCESS FOR THE MANUFACTURE OF FLUOROELASTOMERS HAVING BROMINE OR IODINE ATOM CURE SITES DUPONT PERFORMANCE ELASTOMERS L.L.C. (US) 2007-05-03 WO disclosed
WO-2007006926-A2 NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2007-01-18 WO disclosed