SCHEMBL1729040

SCHEMBL1729040

NC(CN(CC=O)C(=O)O)C1CCN(c2cnc3ccccc3n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.46
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MAPT P10636 3/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
HTR3A P46098 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
HCRTR1 O43613 4/20 0.41
HCRTR2 O43614 4/20 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
SCHEMBL1727957 0.88 KDM4E (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL1729271 0.85 AKR1C3 (0.43) DPP4DPP8DPP9DPP7HTR3A
SCHEMBL1730195 0.85 HCAR2 (0.46) HCAR2NPC1RAB9AMAPTNFKB1
SCHEMBL1730251 0.85 DPP4 (0.42) DPP4DPP8DPP9DPP7HTR3A
SCHEMBL1729611 0.83 HTR1A (0.39) MAPTHTTHTR3ALMNA
SCHEMBL1727570 0.81 CNR1 (0.39) CKS1BSKP1SKP2
SCHEMBL1727545 0.81 GRIN2D (0.36) NFKB1DPP4DPP8DPP9DPP7
SCHEMBL1730161 0.81 DEGS1 (0.43) MAPTPDE10AKDM4E
SCHEMBL1730188 0.81 AKR1C3 (0.39) DPP4DPP8DPP9DPP7PDE10A
SCHEMBL1728022 0.81 FFAR4 (0.34) DPP4DPP8DPP9DPP7CKS1B

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