SCHEMBL6875882

SCHEMBL6875882

CN(C)c1cc(NC2CCC(NC(=O)Nc3ccc(Br)cc3Br)CC2)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.47
ADRA2A P08913 11/20 0.47
HTT P42858 1/20 0.44
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
EPHX1 P07099 1/20 0.41
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPY5R Q15761 2/20 0.39
HTR1A P08908 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 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
SCHEMBL6875881 1.00 MCHR1 (0.47) MCHR1ADRA2AHTTHCRTR1HCRTR2
SCHEMBL6466405 0.92 MCHR1 (0.46) MCHR1ADRA2AHTTHCRTR1HCRTR2
SCHEMBL6459050 0.92 MCHR1 (0.46) MCHR1ADRA2AHTTHCRTR1HCRTR2
SCHEMBL6878213 0.92 MCHR1 (0.44) MCHR1ADRA2AEPHX1KDM4ELMNA
SCHEMBL6878207 0.92 MCHR1 (0.44) MCHR1ADRA2AEPHX1KDM4ELMNA
SCHEMBL6463884 0.89 EPHX1 (0.47) MCHR1ADRA2AEPHX1KDM4ELMNA
SCHEMBL6463888 0.89 EPHX1 (0.47) MCHR1ADRA2AEPHX1KDM4ELMNA
SCHEMBL6872387 0.89 MCHR1 (0.46) MCHR1ADRA2AHTTEPHX1NPY5R
SCHEMBL6872384 0.89 MCHR1 (0.46) MCHR1ADRA2AHTTEPHX1NPY5R
SCHEMBL6458028 0.85 EPHX1 (0.43) MCHR1ADRA2AEPHX1KDM4ELMNA

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