SCHEMBL6880268

SCHEMBL6880268

COc1cccc(CNC[C@H]2CC[C@@H](Nc3cc(N(C)C)c4ccccc4n3)CC2)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.46
ADRA2A P08913 2/20 0.46
NPY5R Q15761 2/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSP90AA1 P07900 1/20 0.42
GAA P10253 4/20 0.41
LMNA P02545 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
HTT P42858 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
TSHR P16473 3/20 0.41

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
SCHEMBL6880269 1.00 MCHR1 (0.46) MCHR1ADRA2ANPY5RMEN1KMT2A
SCHEMBL6876757 0.91 MCHR1 (0.46) MCHR1ADRA2ANPY5RMEN1KMT2A
SCHEMBL6868214 0.89 MCHR1 (0.46) MCHR1ADRA2ANPY5RMEN1KMT2A
SCHEMBL6455511 0.89 MCHR1 (0.46) MCHR1ADRA2ANPY5RMEN1KMT2A
SCHEMBL6466741 0.89 MCHR1 (0.51) MCHR1ADRA2ANPY5RMEN1KMT2A
SCHEMBL6466734 0.89 MCHR1 (0.51) MCHR1ADRA2ANPY5RMEN1KMT2A
SCHEMBL6873090 0.89 MCHR1 (0.47) MCHR1ADRA2ANPY5RMEN1KMT2A
SCHEMBL6873084 0.89 MCHR1 (0.47) MCHR1ADRA2ANPY5RMEN1KMT2A
SCHEMBL6868098 0.88 MCHR1 (0.48) MCHR1ADRA2ANPY5RTSHRPKM
SCHEMBL6868105 0.88 MCHR1 (0.48) MCHR1ADRA2ANPY5RTSHRPKM

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