SCHEMBL6868360

SCHEMBL6868360

CN(C)c1cc(N[C@H]2CC[C@@H](CNCc3cc(Cl)cc(Br)c3O)CC2)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.47
NPY5R Q15761 10/20 0.47
ADRA2A P08913 9/20 0.47
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CAMK2D Q13557 2/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 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
SCHEMBL6868364 1.00 MCHR1 (0.47) MCHR1NPY5RADRA2AKDM4ELMNA
SCHEMBL6874121 0.86 MCHR1 (0.45) MCHR1NPY5RADRA2AKDM4ELMNA
SCHEMBL6874117 0.86 MCHR1 (0.45) MCHR1NPY5RADRA2AKDM4ELMNA
SCHEMBL6466741 0.85 MCHR1 (0.51) MCHR1NPY5RADRA2AKDM4ELMNA
SCHEMBL6466734 0.85 MCHR1 (0.51) MCHR1NPY5RADRA2AKDM4ELMNA
SCHEMBL6874906 0.85 MCHR1 (0.49) MCHR1NPY5RADRA2AKDM4ELMNA
SCHEMBL6874914 0.85 MCHR1 (0.49) MCHR1NPY5RADRA2AKDM4ELMNA
SCHEMBL13796560 0.85 MCHR1 (0.65) MCHR1NPY5RADRA2A
SCHEMBL6873607 0.85 NPY5R (0.45) MCHR1NPY5RADRA2AKDM4ELMNA
SCHEMBL6873598 0.85 NPY5R (0.45) MCHR1NPY5RADRA2AKDM4ELMNA

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