SCHEMBL6875964

SCHEMBL6875964

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
MCHR1 Q99705 9/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KLK7 P49862 1/20 0.48
ADRA2A P08913 8/20 0.47
RAB9A P51151 3/20 0.46
MAPT P10636 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA1A P35348 1/20 0.45
HRH1 P35367 1/20 0.45
HTR2B P41595 1/20 0.45
NPY5R Q15761 1/20 0.45

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
SCHEMBL6875969 1.00 GAA (0.52) GAAMCHR1MEN1KMT2AALDH1A1
SCHEMBL6456858 0.89 KLK7 (0.62) GAAMEN1KMT2AALDH1A1LMNA
SCHEMBL6456853 0.89 KLK7 (0.62) GAAMEN1KMT2AALDH1A1LMNA
SCHEMBL6877534 0.88 MCHR1 (0.53) MCHR1ADRA2ARAB9AMAPTRXFP1
SCHEMBL6877538 0.88 MCHR1 (0.53) MCHR1ADRA2ARAB9AMAPTRXFP1
SCHEMBL27651773 0.87 MCHR1 (0.52) GAAMCHR1KMT2AADRA2ARAB9A
SCHEMBL6879865 0.86 MCHR1 (0.57) MCHR1LMNASMN1; SMN2ADRA2ARAB9A
SCHEMBL6879862 0.86 MCHR1 (0.57) MCHR1LMNASMN1; SMN2ADRA2ARAB9A
SCHEMBL6877059 0.85 MCHR1 (0.51) MCHR1ADRA2ARAB9AMAPTRXFP1
SCHEMBL6877064 0.85 MCHR1 (0.51) MCHR1ADRA2ARAB9AMAPTRXFP1

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