SCHEMBL1729037

SCHEMBL1729037

NC(=O)CN(CCC1CCN(c2cnc3ccccc3n2)CC1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
NFKB1 P19838 1/20 0.44
HTT P42858 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CKS1B P61024 8/20 0.43
SKP1 P63208 8/20 0.43
SKP2 Q13309 8/20 0.43
PDE10A Q9Y233 2/20 0.43
DPP4 P27487 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
DPP7 Q9UHL4 1/20 0.43

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
SCHEMBL1727953 0.88 PDE10A (0.45) ALDH1A1HTTSMN1; SMN2PDE10ADPP4
SCHEMBL1730192 0.87 CKS1B (0.46) HCAR2NPC1RAB9AALDH1A1GAA
SCHEMBL1729269 0.85 AKR1C3 (0.45) HTR3A
SCHEMBL1730249 0.84 HTR3A (0.42) SMN1; SMN2CKS1BSKP1SKP2HTR3A
SCHEMBL1729610 0.81 HTR1A (0.40) PDE10AHTR3AACACBACACA
SCHEMBL1728019 0.80 FFAR4 (0.36) CKS1BSKP1SKP2ACACBACACA
SCHEMBL1727572 0.80 CNR1 (0.41) CKS1BSKP1SKP2
SCHEMBL1730164 0.79 DEGS1 (0.47) MAPTSMN1; SMN2PDE10A
SCHEMBL1730190 0.79 CHRM4 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2PDE10A
SCHEMBL1727546 0.79 HSD11B1 (0.39) NFKB1CKS1BSKP1SKP2HTR3A

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