SCHEMBL5779899

SCHEMBL5779899

CC(C)Cc1cccc(N2CC[CH]CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 2/20 0.45
PDE10A Q9Y233 12/20 0.43
HTR3E A5X5Y0 3/20 0.38
HTR3B O95264 3/20 0.38
HTR3A P46098 3/20 0.38
HTR3D Q70Z44 3/20 0.38
HTR3C Q8WXA8 3/20 0.38
HRH3 Q9Y5N1 3/20 0.38

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
SCHEMBL5779904 0.86 TRPV3 (0.58) TRPV3PDE10A
SCHEMBL5779772 0.74 HRH3 (0.43) TRPV3PDE10AHRH3
SCHEMBL3625374 0.73 GABRA1 (0.44)
SCHEMBL2965375 0.72 NOS3 (0.35) TRPV3PDE10A
SCHEMBL30464666 0.72 NOS3 (0.35) TRPV3PDE10A
SCHEMBL28876577 0.69 GRIN2D (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13362485 0.68 PDE10A (0.55) TRPV3PDE10AHTR3EHTR3BHTR3A
SCHEMBL14818715 0.68 PDE10A (0.59) TRPV3PDE10A
SCHEMBL10233469 0.67 PDE10A (0.57) TRPV3PDE10A
SCHEMBL12088749 0.67 TRPV3 (0.55) TRPV3PDE10A

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