SCHEMBL6875141

SCHEMBL6875141

CN(C)c1cc(NC2CCC(NC(=O)C3CCCC3)CC2)nc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MCHR1 Q99705 10/20 0.48
ADRA2A P08913 8/20 0.44
RAB9A P51151 2/20 0.44
RXFP1 Q9HBX9 3/20 0.43
MAPT P10636 2/20 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
NPC1 O15118 1/20 0.43
TP53 P04637 2/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL6875133 1.00 KDM4E (0.50) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6868817 0.99 KDM4E (0.52) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6868813 0.99 KDM4E (0.52) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6874583 0.88 LMNA (0.52) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6874577 0.88 LMNA (0.52) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6879774 0.86 KDM4E (0.45) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6877623 0.86 MCHR1 (0.43) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6877625 0.86 MCHR1 (0.43) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6879766 0.86 KDM4E (0.45) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6879770 0.86 KDM4E (0.45) 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