SCHEMBL4670892

SCHEMBL4670892

CN(CC1(N(C)C(=O)OC(C)(C)C)CC1)c1ccc(Br)nc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
PAX8 Q06710 1/20 0.32
SSTR4 P31391 1/20 0.32
DGAT1 O75907 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
FPR3 P25089 1/20 0.31
FPR2 P25090 1/20 0.31
CKS1B P61024 1/20 0.30
SKP1 P63208 1/20 0.30
SKP2 Q13309 1/20 0.30
AAK1 Q2M2I8 1/20 0.30
CNR2 P34972 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
SCHEMBL4669442 0.87 DGAT1 (0.32) BRD4CREBBPSSTR4DGAT1
SCHEMBL4820601 0.83 OXTR (0.31)
SCHEMBL4793425 0.79 CYP26A1 (0.36) SSTR4FPR3FPR2AAK1
SCHEMBL29081667 0.76 PAX8 (0.44) BRD4CREBBPPAX8SSTR4
SCHEMBL30615320 0.76 PAX8 (0.44) BRD4CREBBPPAX8SSTR4
SCHEMBL17166912 0.75 SSTR4 (0.36) BRD4PAX8SSTR4HDAC1HDAC8
SCHEMBL28682929 0.73 GPR119 (0.37) SSTR4DGAT1CNR2
SCHEMBL16943188 0.72 SSTR4 (0.39) PAX8SSTR4HDAC1HDAC8HDAC6
SCHEMBL4825679 0.70
SCHEMBL4823642 0.69 IDO1 (0.34) HDAC1HDAC6

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-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