SCHEMBL6879766

SCHEMBL6879766

CN(C)c1cc(N[C@H]2CC[C@@H](NC(=O)C3CCCC[C@H]3C(=O)c3ccccc3)CC2)nc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MCHR1 Q99705 13/20 0.45
ADRA2A P08913 11/20 0.44
HTR1A P08908 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
HTR2B P41595 1/20 0.42
NPY5R Q15761 1/20 0.42
RAB9A P51151 1/20 0.40
RXFP1 Q9HBX9 3/20 0.40
MAPT P10636 1/20 0.40
TP53 P04637 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
SCHEMBL6879770 1.00 KDM4E (0.45) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6879774 1.00 KDM4E (0.45) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6875133 0.86 KDM4E (0.50) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6875141 0.86 KDM4E (0.50) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6868817 0.85 KDM4E (0.52) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6868813 0.85 KDM4E (0.52) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6879865 0.84 MCHR1 (0.57) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6879862 0.84 MCHR1 (0.57) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6877977 0.83 HPGD (0.52) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6877968 0.83 HPGD (0.52) KDM4ELMNASMN1; SMN2MCHR1ADRA2A

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