SCHEMBL6876570

SCHEMBL6876570

CN(C)c1cc(NC2CCC(CNCc3cccc(Br)c3)CC2)nc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.48
ADRA2A P08913 9/20 0.48
NPY5R Q15761 7/20 0.48
APP P05067 3/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAOB P27338 1/20 0.38
HTR6 P50406 1/20 0.38
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL6876564 1.00 MCHR1 (0.48) MCHR1ADRA2ANPY5RAPPKDM4E
SCHEMBL6874877 0.90 MCHR1 (0.49) MCHR1ADRA2ANPY5RAPPKDM4E
SCHEMBL6874880 0.90 MCHR1 (0.49) MCHR1ADRA2ANPY5RAPPKDM4E
SCHEMBL6875826 0.89 MCHR1 (0.48) MCHR1ADRA2ANPY5RAPPKDM4E
SCHEMBL6875830 0.89 MCHR1 (0.48) MCHR1ADRA2ANPY5RAPPKDM4E
SCHEMBL6874906 0.87 MCHR1 (0.49) MCHR1ADRA2ANPY5RAPPKDM4E
SCHEMBL6874914 0.87 MCHR1 (0.49) MCHR1ADRA2ANPY5RAPPKDM4E
SCHEMBL6879043 0.86 MCHR1 (0.46) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6879036 0.86 MCHR1 (0.46) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6867536 0.86 MCHR1 (0.50) MCHR1ADRA2ANPY5RAPPKDM4E

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