SCHEMBL6880732

SCHEMBL6880732

CN(C)c1cc(N[C@H]2CC[C@@H](N(CC3c4ccccc4-c4ccccc43)C(=O)O)CC2)nc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.43
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP2D6 P10635 2/20 0.37
TSHR P16473 2/20 0.37
ALOX15 P16050 1/20 0.37
ADRA2A P08913 10/20 0.36
ACP1 P24666 1/20 0.36
NPY5R Q15761 2/20 0.35
HTR1A P08908 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
HTR2B P41595 1/20 0.35
CAMK2D Q13557 1/20 0.34
MAPK1 P28482 1/20 0.34
CLK4 Q9HAZ1 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
SCHEMBL6880740 1.00 MCHR1 (0.43) MCHR1LMNAKDM4ESMN1; SMN2CYP1A2
SCHEMBL6877444 0.86 MCHR1 (0.43) MCHR1LMNAKDM4ESMN1; SMN2CYP1A2
SCHEMBL6877437 0.86 MCHR1 (0.43) MCHR1LMNAKDM4ESMN1; SMN2CYP1A2
SCHEMBL7112152 0.83 MCHR1 (0.46) MCHR1LMNAKDM4ESMN1; SMN2CYP1A2
SCHEMBL7112154 0.83 MCHR1 (0.46) MCHR1LMNAKDM4ESMN1; SMN2CYP1A2
SCHEMBL6877712 0.82 MCHR1 (0.45) MCHR1LMNAKDM4ESMN1; SMN2CYP1A2
SCHEMBL6877704 0.82 MCHR1 (0.45) MCHR1LMNAKDM4ESMN1; SMN2CYP1A2
SCHEMBL6874957 0.81 MCHR1 (0.45) MCHR1LMNAKDM4ESMN1; SMN2ADRA2A
SCHEMBL6877353 0.81 MCHR1 (0.45) MCHR1LMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL6877357 0.81 MCHR1 (0.45) MCHR1LMNAKDM4ESMN1; SMN2ALDH1A1

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