SCHEMBL1730195

SCHEMBL1730195

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.46
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HTR3A P46098 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
HTT P42858 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CKS1B P61024 7/20 0.40
SKP1 P63208 7/20 0.40
SKP2 Q13309 7/20 0.40
SORD Q00796 1/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39

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
SCHEMBL1728881 0.90 HCAR2 (0.36) HCAR2ALDH1A1MAPTCKS1BSKP1
SCHEMBL1728165 0.89 KDM4E (0.45) HCAR2NPC1RAB9AHTR3AHRH4
SCHEMBL1730128 0.86 HTR3A (0.43) NPC1RAB9AHTR3AALDH1A1SMN1; SMN2
SCHEMBL1729264 0.86 HTR3A (0.41) HTR3ACKS1BSKP1SKP2
SCHEMBL1727921 0.85 KDM4E (0.43) ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL1729040 0.85 HCAR2 (0.46) HCAR2NPC1RAB9AHTR3AHRH4
SCHEMBL1727648 0.84 MAPT (0.34) RAB9AHTR3AALDH1A1MAPTHPGD
SCHEMBL1727724 0.83 HSD11B1 (0.40) CKS1BSKP1SKP2
SCHEMBL1728682 0.83 ACACB (0.40) HTR3ACKS1BSKP1SKP2
SCHEMBL1727901 0.82 SETDB1 (0.38) HCAR2NPC1RAB9AALDH1A1MAPT

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