SCHEMBL1728004

SCHEMBL1728004

O=C(O)NCCC1CCN(c2cnc3ccccc3n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.53
CKS1B P61024 9/20 0.50
SKP1 P63208 9/20 0.50
SKP2 Q13309 9/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
NFKB1 P19838 1/20 0.50
HTT P42858 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PDE10A Q9Y233 1/20 0.47
CHRM4 P08173 2/20 0.47
HTR3A P46098 1/20 0.47
HRH4 Q9H3N8 1/20 0.47

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
SCHEMBL1727758 0.86 CHRM4 (0.45) MAPTCHRM4
SCHEMBL1727542 0.85 HRH3 (0.52) HCAR2ALDH1A1SMN1; SMN2PDE10A
SCHEMBL3265727 0.83 HCAR2 (0.45) HCAR2CKS1BSKP1SKP2NPC1
SCHEMBL1729026 0.83 CHRM4 (0.59) CHRM4HTR3A
SCHEMBL3267181 0.82 CKS1B (0.44) HCAR2CKS1BSKP1SKP2NPC1
SCHEMBL1728734 0.81 CHRM4 (0.51) CKS1BSKP1SKP2CHRM4HTR3A
SCHEMBL1727741 0.81 CHRM4 (0.56) ALDH1A1HPGDCHRM4
SCHEMBL1729046 0.79 CHRM4 (0.45) MAPTCHRM4
SCHEMBL1728843 0.79 P2RX7 (0.46) CHRM4
SCHEMBL1728737 0.78 HSD11B1 (0.49) CHRM4

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