SCHEMBL1730249

SCHEMBL1730249

NC(=O)CN(CCC1CCN(c2cc3ccccc3cn2)CC1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.42
AOC3 Q16853 1/20 0.39
CKS1B P61024 9/20 0.39
SKP1 P63208 9/20 0.39
SKP2 Q13309 9/20 0.39
KDM1A O60341 1/20 0.38
TNF P01375 1/20 0.38
LMNA P02545 1/20 0.38
STAT3 P40763 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
DGAT1 O75907 2/20 0.37
CHRM4 P08173 2/20 0.37

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
SCHEMBL1729260 0.87 HTR3A (0.42) HTR3ACKS1BSKP1SKP2CHRM4
SCHEMBL1729037 0.84 HCAR2 (0.46) HTR3ACKS1BSKP1SKP2SMN1; SMN2
SCHEMBL1727953 0.83 PDE10A (0.45) HTR3ASMN1; SMN2
SCHEMBL1729269 0.83 AKR1C3 (0.45) HTR3ACHRM4
SCHEMBL1728042 0.83 RXRA (0.46) AOC3CKS1BSKP1SKP2CHRM4
SCHEMBL1730190 0.81 CHRM4 (0.44) AOC3KDM1ATNFLMNASTAT3
SCHEMBL1730164 0.81 DEGS1 (0.47) AOC3KDM1ATNFLMNASTAT3
SCHEMBL1727572 0.80 CNR1 (0.41) AOC3CKS1BSKP1SKP2
SCHEMBL1729384 0.80 DPP4 (0.44)
SCHEMBL1727978 0.80 KDM1A (0.43) AOC3KDM1ALMNASMN1; SMN2DGAT1

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