SCHEMBL1728808

SCHEMBL1728808

CCCc1cccc(N2CCC(C(CN(CC=O)C(=O)O)NC)CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
ACACB O00763 5/20 0.37
HRH3 Q9Y5N1 3/20 0.36
PDE10A Q9Y233 5/20 0.35
CKS1B P61024 2/20 0.34
SKP1 P63208 2/20 0.34
SKP2 Q13309 2/20 0.34
AOC3 Q16853 1/20 0.34
TRPV3 Q8NET8 2/20 0.33

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
SCHEMBL1727768 0.90 HRH3 (0.37) ACACBHRH3CKS1BSKP1SKP2
SCHEMBL1727724 0.89 HSD11B1 (0.40) ACACBHRH3CKS1BSKP1SKP2
SCHEMBL1728682 0.88 ACACB (0.40) ACACBPDE10ACKS1BSKP1SKP2
SCHEMBL1727875 0.86 ACACB (0.40) ACACBHRH3CKS1BSKP1SKP2
SCHEMBL1727921 0.83 KDM4E (0.43) HRH3
SCHEMBL1728165 0.82 KDM4E (0.45) HRH3PDE10A
SCHEMBL1729592 0.81 PTGES (0.42) PDE10A
SCHEMBL1727648 0.81 MAPT (0.34) PDE10A
SCHEMBL1730195 0.80 HCAR2 (0.46) CKS1BSKP1SKP2
SCHEMBL1728881 0.80 HCAR2 (0.36) PDE10ACKS1BSKP1SKP2

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