SCHEMBL4669442

SCHEMBL4669442

CN(C(=O)OC(C)(C)C)C1(CN(C=O)c2ccc(Br)nc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.32
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
SSTR4 P31391 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
SCHEMBL4670892 0.87 BRD4 (0.34) DGAT1BRD4CREBBPSSTR4
SCHEMBL4825679 0.85
SCHEMBL4793425 0.75 CYP26A1 (0.36) SSTR4
SCHEMBL30615320 0.73 PAX8 (0.44) BRD4CREBBPSSTR4
SCHEMBL29081667 0.73 PAX8 (0.44) BRD4CREBBPSSTR4
SCHEMBL17166912 0.71 SSTR4 (0.36) BRD4SSTR4
SCHEMBL4823417 0.71 MEN1 (0.39)
SCHEMBL28682929 0.70 GPR119 (0.37) DGAT1SSTR4
SCHEMBL4820601 0.70 OXTR (0.31)
SCHEMBL4825674 0.69 FPR2 (0.30)

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