SCHEMBL6868529

SCHEMBL6868529

CN(C)c1cc(NC2CCC(NC(=S)NCc3cccc4ccccc34)CC2)nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.46
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADRA2A P08913 7/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
HTR1A P08908 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL6868526 1.00 MCHR1 (0.46) MCHR1MEN1KMT2ALMNAKDM4E
SCHEMBL6879021 0.90 MCHR1 (0.45) MCHR1MEN1KMT2ALMNAKDM4E
SCHEMBL6879024 0.90 MCHR1 (0.45) MCHR1MEN1KMT2ALMNAKDM4E
SCHEMBL6876071 0.87 KMT2A (0.48) MCHR1MEN1KMT2ALMNAKDM4E
SCHEMBL6876075 0.87 KMT2A (0.48) MCHR1MEN1KMT2ALMNAKDM4E
SCHEMBL27653033 0.86 SIGMAR1 (0.50) MCHR1LMNAKDM4ESMN1; SMN2ADRA2A
SCHEMBL6873492 0.85 ALOX12 (0.55) MCHR1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL6873494 0.85 ALOX12 (0.55) MCHR1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL6866938 0.85 MCHR1 (0.55) MCHR1MEN1KMT2ALMNAKDM4E
SCHEMBL6866944 0.85 MCHR1 (0.55) MCHR1MEN1KMT2ALMNAKDM4E

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