SCHEMBL5777613

SCHEMBL5777613

CC(C)Cc1cccc(N2CCC(CCOC(N)=O)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.44
AOC3 Q16853 3/20 0.41
ACACB O00763 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
FFAR1 O14842 1/20 0.37
HSD11B1 P28845 1/20 0.37
PRKCQ Q04759 1/20 0.37
TRPV3 Q8NET8 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
MEN1 O00255 1/20 0.36
HTR3B O95264 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
HTR3A P46098 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36

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
SCHEMBL3269876 0.81 HRH3 (0.40) HRH3AOC3ACACBHSD11B1TRPV3
SCHEMBL1727464 0.80 HRH3 (0.42) HRH3ACACBFFAR4TRPV3
SCHEMBL240061 0.77 HRH3 (0.39) HRH3AOC3ACACBTRPV3
SCHEMBL27649142 0.74 PDE10A (0.45) HRH3ACACBHSD11B1TRPV3MEN1
SCHEMBL1727770 0.73 HRH3 (0.38) HRH3AOC3ACACBFFAR4FFAR1
SCHEMBL28428450 0.73 F10 (0.45) HRH3PRKCQ
SCHEMBL240217 0.72 ACHE (0.37) HRH3FFAR4TRPV3
SCHEMBL5779772 0.72 HRH3 (0.43) HRH3ACACBFFAR4HSD11B1TRPV3
SCHEMBL5779904 0.71 TRPV3 (0.58) TRPV3PDE10A
SCHEMBL5779899 0.70 TRPV3 (0.45) HRH3TRPV3HTR3EHTR3BHTR3A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633735-A1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2006-03-15 EP disclosed
WO-2004099176-A1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2004-11-18 WO disclosed