SCHEMBL6868474

SCHEMBL6868474

CN(C)c1cc(N[C@H]2CC[C@@H](NC(=O)Nc3c(Cl)cccc3C(F)(F)F)CC2)nc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.44
ADRA2A P08913 9/20 0.44
EPHX1 P07099 1/20 0.42
ACP1 P24666 1/20 0.42
HTR1A P08908 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
NPY5R Q15761 1/20 0.39
EPHX2 P34913 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
LCK P06239 1/20 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
SCHEMBL6868480 1.00 MCHR1 (0.44) MCHR1ADRA2AEPHX1ACP1HTR1A
SCHEMBL6464772 0.90 MCHR1 (0.41) MCHR1ADRA2AACP1NPY5REPHX2
SCHEMBL6459092 0.90 MCHR1 (0.41) MCHR1ADRA2AACP1NPY5REPHX2
SCHEMBL6874728 0.89 LCK (0.49) MCHR1ADRA2AEPHX1LCK
SCHEMBL6874723 0.89 LCK (0.49) MCHR1ADRA2AEPHX1LCK
SCHEMBL6876607 0.88 ACP1 (0.47) MCHR1ADRA2AEPHX1ACP1HTR1A
SCHEMBL6876600 0.88 ACP1 (0.47) MCHR1ADRA2AEPHX1ACP1HTR1A
SCHEMBL6868935 0.88 EPHX1 (0.47) MCHR1ADRA2AEPHX1HTR1AADRA1A
SCHEMBL6868939 0.88 EPHX1 (0.47) MCHR1ADRA2AEPHX1HTR1AADRA1A
SCHEMBL6456407 0.86 EPHX1 (0.47) MCHR1ADRA2AEPHX1HTR1AADRA1A

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