SCHEMBL6876583

SCHEMBL6876583

CNc1cc(C)nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)n1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.60
ADRA2A P08913 5/20 0.60
HRH1 P35367 3/20 0.60
HTR2B P41595 2/20 0.60
ADRA1A P35348 2/20 0.55
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
CNR1 P21554 1/20 0.45
KCNH2 Q12809 1/20 0.45
AURKB Q96GD4 1/20 0.45
RAF1 P04049 1/20 0.43
EPHX2 P34913 1/20 0.43
ABL1 P00519 2/20 0.42
BCR P11274 2/20 0.42
CRHR1 P34998 1/20 0.42

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
SCHEMBL6876592 1.00 MCHR1 (0.60) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6868788 0.88 MCHR1 (0.79) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6868785 0.88 MCHR1 (0.79) MCHR1ADRA2AHRH1HTR2BADRA1A
Hydrochloric Acid SCHEMBL6458592 0.80 MCHR1 (0.76) MCHR1ADRA2AHRH1HTR2BADRA1A
Hydrochloric Acid SCHEMBL6458596 0.80 MCHR1 (0.76) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL4258703 0.79 MCHR1 (0.57) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL4258707 0.79 MCHR1 (0.57) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6873132 0.77 MCHR1 (0.80) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6873123 0.77 MCHR1 (0.80) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6875541 0.77 SMYD3 (0.59) MCHR1ADRA2AHRH1HTR2BADRA1A

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