SCHEMBL6880166

SCHEMBL6880166

COc1ccc(Br)cc1CNCC1CCC(Nc2nccc(N(C)C)n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.49
ADRA2A P08913 5/20 0.49
NPY5R Q15761 4/20 0.49
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACHE P22303 2/20 0.38
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL6464914 1.00 MCHR1 (0.49) MCHR1ADRA2ANPY5RALDH1A1MEN1
SCHEMBL6878737 0.92 MCHR1 (0.49) MCHR1ADRA2ANPY5RALDH1A1MEN1
SCHEMBL6456397 0.92 MCHR1 (0.49) MCHR1ADRA2ANPY5RALDH1A1MEN1
SCHEMBL6875477 0.90 KCNH2 (0.43) MCHR1ADRA2ANPY5RACHEDRD2
SCHEMBL6875484 0.90 KCNH2 (0.43) MCHR1ADRA2ANPY5RACHEDRD2
SCHEMBL6875677 0.90 MCHR1 (0.41) MCHR1ADRA2ANPY5RALDH1A1ACHE
SCHEMBL6460055 0.90 MCHR1 (0.44) MCHR1ADRA2ANPY5RALDH1A1KDM4E
SCHEMBL6874340 0.90 MCHR1 (0.44) MCHR1ADRA2ANPY5RALDH1A1KDM4E
SCHEMBL6875669 0.90 MCHR1 (0.41) MCHR1ADRA2ANPY5RALDH1A1ACHE
SCHEMBL6460406 0.89 MCHR1 (0.46) MCHR1ADRA2ANPY5RALDH1A1MEN1

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