SCHEMBL1727768

SCHEMBL1727768

CNC(CN(CC=O)C(=O)O)C1CCN(c2cccc(CC(C)C)n2)CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.37
ACACB O00763 6/20 0.36
TRPV3 Q8NET8 2/20 0.34
FFAR4 Q5NUL3 1/20 0.34
HTR1A P08908 1/20 0.32
CKS1B P61024 3/20 0.32
SKP1 P63208 3/20 0.32
SKP2 Q13309 3/20 0.32
HSD11B1 P28845 1/20 0.31
DNM1L O00429 1/20 0.31

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
SCHEMBL1728808 0.90 PKM (0.37) HRH3ACACBTRPV3CKS1BSKP1
SCHEMBL1727724 0.88 HSD11B1 (0.40) HRH3ACACBTRPV3FFAR4CKS1B
SCHEMBL1728682 0.87 ACACB (0.40) ACACBHTR1ACKS1BSKP1SKP2
SCHEMBL1727875 0.85 ACACB (0.40) HRH3ACACBFFAR4CKS1BSKP1
SCHEMBL1727921 0.82 KDM4E (0.43) HRH3HTR1A
SCHEMBL1727577 0.82 PANK3 (0.38) HRH3
SCHEMBL1728165 0.81 KDM4E (0.45) HRH3
SCHEMBL1729592 0.80 PTGES (0.42) HSD11B1
SCHEMBL1727648 0.80 MAPT (0.34)
SCHEMBL1730195 0.80 HCAR2 (0.46) CKS1BSKP1SKP2

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