SCHEMBL6868817

SCHEMBL6868817

CN(C)c1cc(NC2CCC(NC(=O)C3CCCCC3)CC2)nc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MCHR1 Q99705 10/20 0.48
RXFP1 Q9HBX9 2/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.44
ADRA2A P08913 8/20 0.43
GAA P10253 2/20 0.43
EPHX1 P07099 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
HTR2B P41595 1/20 0.43
NPY5R Q15761 1/20 0.43

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
SCHEMBL6868813 1.00 KDM4E (0.52) KDM4ELMNASMN1; SMN2MCHR1RXFP1
SCHEMBL6875133 0.99 KDM4E (0.50) KDM4ELMNASMN1; SMN2MCHR1RXFP1
SCHEMBL6875141 0.99 KDM4E (0.50) KDM4ELMNASMN1; SMN2MCHR1RXFP1
SCHEMBL6874577 0.87 LMNA (0.52) KDM4ELMNASMN1; SMN2MCHR1RXFP1
SCHEMBL6874583 0.87 LMNA (0.52) KDM4ELMNASMN1; SMN2MCHR1RXFP1
SCHEMBL6879766 0.85 KDM4E (0.45) KDM4ELMNASMN1; SMN2MCHR1RXFP1
SCHEMBL6877623 0.85 MCHR1 (0.43) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6879774 0.85 KDM4E (0.45) KDM4ELMNASMN1; SMN2MCHR1RXFP1
SCHEMBL6877625 0.85 MCHR1 (0.43) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6879770 0.85 KDM4E (0.45) KDM4ELMNASMN1; SMN2MCHR1RXFP1

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