SCHEMBL6879232

SCHEMBL6879232

CN(C)c1ccnc(N[C@H]2CC[C@@H](CNC(=O)c3cncc(Br)c3)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.52
ADRA2A P08913 3/20 0.51
ADRA1A P35348 2/20 0.51
HTR2B P41595 2/20 0.51
HRH1 P35367 1/20 0.51
HTR1A P08908 1/20 0.49
CACNA1I Q9P0X4 1/20 0.48
MAPK14 Q16539 2/20 0.41
NPY5R Q15761 1/20 0.41
SMYD3 Q9H7B4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 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
SCHEMBL6868631 0.88 MCHR1 (0.55) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6868624 0.88 MCHR1 (0.55) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6463357 0.88 SMYD3 (0.55) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6463349 0.88 SMYD3 (0.55) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6877119 0.88 MCHR1 (0.56) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6877116 0.88 MCHR1 (0.56) MCHR1ADRA2AADRA1AHTR2BHRH1
Hydrochloric Acid SCHEMBL6463508 0.87 SMYD3 (0.54) MCHR1ADRA2AADRA1AHTR2BHRH1
Hydrochloric Acid SCHEMBL6463513 0.87 SMYD3 (0.54) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6876170 0.84 MCHR1 (0.59) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6873114 0.83 MCHR1 (0.74) MCHR1ADRA2AADRA1AHTR2BHRH1

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