SCHEMBL17865131

SCHEMBL17865131

NC/C=C/C1CCN(c2nccc3ccc(F)cc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.38
HTT P42858 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
HTR2C P28335 1/20 0.34
CHRM4 P08173 1/20 0.34

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
SCHEMBL17865136 1.00 PDE10A (0.38) PDE10AHTTHRH4HTR2CCHRM4
SCHEMBL17865135 0.89 PDE10A (0.42) PDE10AHTTHRH4HTR2C
SCHEMBL17847595 0.89 PDE10A (0.42) PDE10AHTTHRH4HTR2C
SCHEMBL17847598 0.89 PDE10A (0.42) PDE10AHTTHRH4HTR2C
SCHEMBL17847535 0.82 PDE10A (0.36) PDE10A
SCHEMBL17847536 0.82 PDE10A (0.36) PDE10A
SCHEMBL17847554 0.82 PDE10A (0.39) PDE10AHRH4HTR2CCHRM4
SCHEMBL17847564 0.81 HTR6 (0.37) PDE10ACHRM4
SCHEMBL17847566 0.81 HTR6 (0.37) PDE10ACHRM4
SCHEMBL17847580 0.81 DPP4 (0.39) PDE10A

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
WO-2016096631-A1 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2016-06-23 WO disclosed