SCHEMBL1728013

SCHEMBL1728013

NC(CN(CC=O)C(=O)O)C1CCN(c2cc(C(F)(F)F)ccn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.50
DPP4 P27487 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
FFAR1 O14842 2/20 0.44
CHRM4 P08173 2/20 0.43
ADRB1 P08588 1/20 0.42
ACACB O00763 2/20 0.42
MAPT P10636 2/20 0.41
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
LCAT P04180 2/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CCR2 P41597 2/20 0.38
KCNH2 Q12809 1/20 0.37
OPRD1 P41143 1/20 0.37
CYP2D6 P10635 1/20 0.36

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
SCHEMBL1729687 0.86 LMNA (0.53) DPP4DPP7HRH3MAPTKDM4E
SCHEMBL1728039 0.84 RXRA (0.42) DPP4DPP7OPRD1
SCHEMBL1729368 0.83 NOTUM (0.49) ADRB1MAPTALDH1A1
SCHEMBL1729204 0.80 KDM4E (0.44) DPP4DPP7MAPTKDM4EALDH1A1
SCHEMBL1730251 0.79 DPP4 (0.42) DPP4DPP7
SCHEMBL1730161 0.77 DEGS1 (0.43) MAPTKDM4EKCNH2
SCHEMBL1730188 0.77 AKR1C3 (0.39) DPP4DPP7HRH3CHRM4ACACB
SCHEMBL1729774 0.76 LMNA (0.36) DPP4DPP7MAPTKDM4EALDH1A1
SCHEMBL1730303 0.76 LMNA (0.36) DPP4DPP7
SCHEMBL1729295 0.76 P4HTM (0.37) MAPTKDM4EALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 EP claimed