SCHEMBL6880445

SCHEMBL6880445

COc1cc(F)c(CNC[C@H]2CC[C@@H](Nc3nccc(N(C)C)n3)CC2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.43
ADRA2A P08913 4/20 0.43
NPY5R Q15761 2/20 0.43
ADRA1A P35348 2/20 0.40
HTR2B P41595 2/20 0.40
HRH1 P35367 1/20 0.40
ACHE P22303 2/20 0.38
KCNH2 Q12809 2/20 0.37
CYP2D6 P10635 1/20 0.37
GRIN2B Q13224 1/20 0.37
BACE1 P56817 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
KDM1A O60341 1/20 0.35
CNR1 P21554 1/20 0.35
AURKB Q96GD4 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
HTR1A P08908 1/20 0.35

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
SCHEMBL6880450 1.00 MCHR1 (0.43) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6873577 0.92 MCHR1 (0.42) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6873584 0.92 MCHR1 (0.42) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6875484 0.89 KCNH2 (0.43) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6874350 0.89 MCHR1 (0.44) MCHR1ADRA2ANPY5RACHEBACE1
SCHEMBL6467756 0.89 MCHR1 (0.44) MCHR1ADRA2ANPY5RACHEBACE1
SCHEMBL6875477 0.89 KCNH2 (0.43) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6877339 0.88 MCHR1 (0.44) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6877329 0.88 MCHR1 (0.44) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6877765 0.86 MCHR1 (0.42) MCHR1ADRA2ANPY5RADRA1AHTR2B

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