SCHEMBL6868098

SCHEMBL6868098

COc1ccc(F)cc1CNC[C@H]1CC[C@@H](Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.48
ADRA2A P08913 4/20 0.48
NPY5R Q15761 3/20 0.48
HTR2A P28223 7/20 0.41
HTR2C P28335 6/20 0.41
HTR2B P41595 3/20 0.41
CYP2D6 P10635 2/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
KCNH2 Q12809 2/20 0.41
GRIN2B Q13224 1/20 0.41
PKM P14618 1/20 0.40
APP P05067 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
KDM1A O60341 1/20 0.39

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
SCHEMBL6868105 1.00 MCHR1 (0.48) MCHR1ADRA2ANPY5RHTR2AHTR2C
SCHEMBL6873885 0.91 MCHR1 (0.46) MCHR1ADRA2ANPY5RCYP2D6USP2
SCHEMBL6873877 0.91 MCHR1 (0.46) MCHR1ADRA2ANPY5RCYP2D6USP2
SCHEMBL6873607 0.91 NPY5R (0.45) MCHR1ADRA2ANPY5RCYP2D6USP2
SCHEMBL6873598 0.91 NPY5R (0.45) MCHR1ADRA2ANPY5RCYP2D6USP2
SCHEMBL6874567 0.91 MCHR1 (0.54) MCHR1ADRA2ANPY5RTSHRAPP
SCHEMBL6874559 0.91 MCHR1 (0.54) MCHR1ADRA2ANPY5RTSHRAPP
SCHEMBL6873084 0.90 MCHR1 (0.47) MCHR1ADRA2ANPY5RCYP2D6USP2
SCHEMBL6873090 0.90 MCHR1 (0.47) MCHR1ADRA2ANPY5RCYP2D6USP2
SCHEMBL6874649 0.90 MCHR1 (0.48) MCHR1ADRA2ANPY5RHTR2BCYP2D6

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-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed