SCHEMBL5779904

SCHEMBL5779904

CC(C)Cc1cccc(N2CCCCC2)n1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 2/20 0.58
PDE10A Q9Y233 15/20 0.54
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43

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
SCHEMBL5779899 0.86 TRPV3 (0.45) TRPV3PDE10A
SCHEMBL10233469 0.81 PDE10A (0.57) TRPV3PDE10AHCRTR1HCRTR2
SCHEMBL14818715 0.80 PDE10A (0.59) TRPV3PDE10A
SCHEMBL23207442 0.78 PDE10A (0.54) TRPV3PDE10AHCRTR1HCRTR2
SCHEMBL20548111 0.78 PDE10A (0.54) TRPV3PDE10AHCRTR1HCRTR2
SCHEMBL15537495 0.78 TRPV3 (0.58) TRPV3PDE10AHCRTR1HCRTR2
SCHEMBL12088749 0.77 TRPV3 (0.55) TRPV3PDE10A
Hydrochloric Acid SCHEMBL23167793 0.77 PDE10A (0.52) TRPV3PDE10AHCRTR1HCRTR2
Hydrochloric Acid SCHEMBL30152537 0.77 PDE10A (0.52) TRPV3PDE10AHCRTR1HCRTR2
SCHEMBL6242988 0.76 HSD11B1 (0.50) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154291-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed
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