SCHEMBL6878451

SCHEMBL6878451

CN(C)c1cc(N[C@H]2CC[C@@H](NC(=O)/C=C/c3ccccc3)CC2)nc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
ADRA2A P08913 9/20 0.42
HTR2B P41595 2/20 0.42
HTR1A P08908 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
NPY5R Q15761 1/20 0.42
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CCR3 P51677 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
CNR2 P34972 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
SCHEMBL6878457 1.00 MCHR1 (0.44) MCHR1SMN1; SMN2KDM4ELMNAADRA2A
SCHEMBL6878465 1.00 MCHR1 (0.44) MCHR1SMN1; SMN2KDM4ELMNAADRA2A
SCHEMBL6878461 1.00 MCHR1 (0.44) MCHR1SMN1; SMN2KDM4ELMNAADRA2A
SCHEMBL6460042 0.90 MCHR1 (0.47) MCHR1SMN1; SMN2KDM4ELMNAADRA2A
SCHEMBL6460037 0.90 MCHR1 (0.47) MCHR1SMN1; SMN2KDM4ELMNAADRA2A
SCHEMBL6460039 0.90 MCHR1 (0.47) MCHR1SMN1; SMN2KDM4ELMNAADRA2A
SCHEMBL6460027 0.90 MCHR1 (0.47) MCHR1SMN1; SMN2KDM4ELMNAADRA2A
SCHEMBL6465882 0.89 ADRA2A (0.52) MCHR1SMN1; SMN2LMNAADRA2ANPC1
SCHEMBL6465876 0.89 ADRA2A (0.52) MCHR1SMN1; SMN2LMNAADRA2ANPC1
SCHEMBL6465880 0.89 ADRA2A (0.52) MCHR1SMN1; SMN2LMNAADRA2ANPC1

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