SCHEMBL6873508

SCHEMBL6873508

COc1ccc(F)c(CNC[C@H]2CC[C@@H](Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.43
ADRA2A P08913 6/20 0.43
NPY5R Q15761 3/20 0.43
ADRA1A P35348 3/20 0.42
HTR2B P41595 3/20 0.42
HRH1 P35367 2/20 0.42
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR1A P08908 2/20 0.36
ABCB1 P08183 2/20 0.35
TUBB3 Q13509 2/20 0.35
PDE2A O00408 1/20 0.34

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
SCHEMBL6873512 1.00 MCHR1 (0.43) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6457972 0.91 MCHR1 (0.44) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6873945 0.91 MCHR1 (0.44) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6867249 0.89 MCHR1 (0.48) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6867254 0.89 MCHR1 (0.48) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6872913 0.88 MCHR1 (0.45) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6872909 0.88 MCHR1 (0.45) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6877742 0.87 ALDH1A1 (0.45) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6877746 0.87 ALDH1A1 (0.45) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6866935 0.86 MCHR1 (0.46) MCHR1ADRA2ANPY5RADRA1AHTR2B

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