SCHEMBL6878417

SCHEMBL6878417

CN(C)c1cc(N[C@H]2CC[C@@H](NC(=O)c3cncc(Br)c3)CC2)nc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.56
ADRA2A P08913 12/20 0.56
SMYD3 Q9H7B4 1/20 0.51
HTR1A P08908 1/20 0.47
ADRA1A P35348 1/20 0.47
HRH1 P35367 1/20 0.47
HTR2B P41595 1/20 0.47
NPY5R Q15761 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
TAS1R2 Q8TE23 2/20 0.43
POLB P06746 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
SCHEMBL6878421 1.00 MCHR1 (0.56) MCHR1ADRA2ASMYD3HTR1AADRA1A
SCHEMBL6455454 0.89 MCHR1 (0.70) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6455447 0.89 MCHR1 (0.70) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6875778 0.89 MCHR1 (0.47) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6455831 0.89 MCHR1 (0.57) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6455836 0.89 MCHR1 (0.57) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6463580 0.88 LMNA (0.55) MCHR1ADRA2ASMYD3KDM4EMEN1
SCHEMBL6463573 0.88 LMNA (0.55) MCHR1ADRA2ASMYD3KDM4EMEN1
SCHEMBL6879865 0.87 MCHR1 (0.57) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6879862 0.87 MCHR1 (0.57) MCHR1ADRA2AHTR1AADRA1AHRH1

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