SCHEMBL6875520

SCHEMBL6875520

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)Nc3ccccc3Br)CC2)nc2c1CCCC2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.44
ADRA2A P08913 14/20 0.44
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HRH1 P35367 5/20 0.40
HTR2B P41595 5/20 0.40
ADRA1A P35348 3/20 0.40
HTR1A P08908 1/20 0.40
NPY5R Q15761 1/20 0.40
TRPV1 Q8NER1 3/20 0.39

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
SCHEMBL6875526 1.00 MCHR1 (0.44) MCHR1ADRA2AMEN1HTTKMT2A
SCHEMBL6877651 0.90 EPHX2 (0.44) MCHR1ADRA2AMEN1HTTKMT2A
SCHEMBL6877658 0.90 EPHX2 (0.44) MCHR1ADRA2AMEN1HTTKMT2A
SCHEMBL6462309 0.89 MCHR1 (0.45) MCHR1ADRA2AHTTHRH1HTR2B
SCHEMBL6458714 0.89 MCHR1 (0.45) MCHR1ADRA2AHTTHRH1HTR2B
SCHEMBL6868714 0.89 MCHR1 (0.40) MCHR1ADRA2AMEN1HTTKMT2A
SCHEMBL6868723 0.89 MCHR1 (0.40) MCHR1ADRA2AMEN1HTTKMT2A
SCHEMBL6876840 0.89 MCHR1 (0.42) MCHR1ADRA2AMEN1HTTKMT2A
SCHEMBL6876848 0.89 MCHR1 (0.42) MCHR1ADRA2AMEN1HTTKMT2A
SCHEMBL6869037 0.89 KMT2A (0.52) MCHR1ADRA2AMEN1HTTKMT2A

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