SCHEMBL6878427

SCHEMBL6878427

CN(C)c1nc(N[C@H]2CC[C@@H](CNC(=O)c3ccc(Br)s3)CC2)nc2c1CCCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.46
ADRA2A P08913 6/20 0.46
HTR2B P41595 3/20 0.46
ADRA1A P35348 2/20 0.46
HRH1 P35367 2/20 0.46
HTR1A P08908 1/20 0.44
NPY5R Q15761 2/20 0.43
HPGD P15428 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
NFKB1 P19838 1/20 0.40
CASP3 P42574 1/20 0.40
HTT P42858 1/20 0.40
NFKB2 Q00653 1/20 0.40
KMT2A Q03164 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6878431 1.00 MCHR1 (0.46) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6873487 0.90 MCHR1 (0.49) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6873490 0.90 MCHR1 (0.49) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6456688 0.89 HPGD (0.52) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6459996 0.89 HPGD (0.52) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6880466 0.88 MCHR1 (0.46) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6880462 0.88 MCHR1 (0.46) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6872194 0.87 KMT2A (0.49) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6872197 0.87 KMT2A (0.49) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6875374 0.85 MCHR1 (0.54) MCHR1ADRA2AHTR2BADRA1AHRH1

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