SCHEMBL4622368

SCHEMBL4622368

CC(C)(C)NC(=O)OC1CCN(CCS(C)(=O)=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.38
CHRM3 P20309 12/20 0.37
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
BCHE P06276 2/20 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
SCHEMBL28062324 0.82 CHRM3 (0.39) DPP4CHRM3CARM1PRMT6SMN1; SMN2
SCHEMBL27539772 0.80 CHRM3 (0.49) DPP4CHRM3SMN1; SMN2BCHE
SCHEMBL27727639 0.80 MAOB (0.39) DPP4CHRM3CARM1PRMT6BCHE
SCHEMBL27875126 0.79 NAAA (0.37) DPP4
SCHEMBL27662826 0.79 TP53 (0.49) DPP4SMN1; SMN2
SCHEMBL27698089 0.78 DPP4 (0.43) DPP4CHRM3CARM1PRMT6BCHE
SCHEMBL23089331 0.78 CHRM3 (0.46) DPP4CHRM3SMN1; SMN2
SCHEMBL28862226 0.76 DPP4 (0.38) DPP4CHRM3SMN1; SMN2BCHE
SCHEMBL28127651 0.76 DPP4 (0.38) DPP4CHRM3CARM1PRMT6SMN1; SMN2
SCHEMBL4569265 0.75 HRH3 (0.32)

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-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-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