SCHEMBL6878006

SCHEMBL6878006

CN(C)c1cc(N[C@H]2CC[C@@H](NC(=O)Cc3ccccc3Br)CC2)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.47
SIGMAR1 Q99720 1/20 0.46
ADRA2A P08913 9/20 0.44
TP53 P04637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
NPY5R Q15761 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL6878013 1.00 MCHR1 (0.47) MCHR1SIGMAR1ADRA2ATP53KDM4E
SCHEMBL6868396 0.90 MCHR1 (0.44) MCHR1SIGMAR1ADRA2AKDM4ELMNA
SCHEMBL6868405 0.90 MCHR1 (0.44) MCHR1SIGMAR1ADRA2AKDM4ELMNA
SCHEMBL27653033 0.89 SIGMAR1 (0.50) MCHR1SIGMAR1ADRA2ATP53KDM4E
SCHEMBL6462142 0.89 MCHR1 (0.47) MCHR1SIGMAR1ADRA2ATP53KDM4E
SCHEMBL6462141 0.89 MCHR1 (0.47) MCHR1SIGMAR1ADRA2ATP53KDM4E
SCHEMBL6872998 0.87 MCHR1 (0.51) MCHR1SIGMAR1ADRA2AKDM4ELMNA
SCHEMBL6872993 0.87 MCHR1 (0.51) MCHR1SIGMAR1ADRA2AKDM4ELMNA
SCHEMBL6459479 0.84 SIGMAR1 (0.52) MCHR1SIGMAR1SMN1; SMN2NPY5RMAPT
SCHEMBL6459469 0.84 SIGMAR1 (0.52) MCHR1SIGMAR1SMN1; SMN2NPY5RMAPT

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