SCHEMBL6878982

SCHEMBL6878982

CN(C)c1nc(NC2CCC(NC(=O)c3ccccc3-c3ccccc3)CC2)nc2c1CCCC2

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.55
GAA P10253 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ADRA2A P08913 15/20 0.50
HRH1 P35367 3/20 0.46
HTR2B P41595 3/20 0.46
ADRA1A P35348 2/20 0.46
HTR1A P08908 1/20 0.46
NPY5R Q15761 1/20 0.46
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL6878979 1.00 MCHR1 (0.55) MCHR1GAAMEN1KMT2AALDH1A1
SCHEMBL27651758 0.87 MCHR1 (0.54) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6457764 0.86 MCHR1 (0.60) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6457758 0.86 MCHR1 (0.60) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6460703 0.86 MCHR1 (0.56) MCHR1MEN1KMT2ASMN1; SMN2ADRA2A
SCHEMBL6460698 0.86 MCHR1 (0.56) MCHR1MEN1KMT2ASMN1; SMN2ADRA2A
SCHEMBL6874030 0.86 MCHR1 (0.58) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6874035 0.86 MCHR1 (0.58) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6875034 0.85 TSHR (0.43) MCHR1GAAALDH1A1SMN1; SMN2NPSR1
SCHEMBL6875040 0.85 TSHR (0.43) MCHR1GAAALDH1A1SMN1; SMN2NPSR1

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