SCHEMBL6867658

SCHEMBL6867658

CN(C)c1cc(NC2CCC(N(C)C(=O)O)CC2)nc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ADRA2A P08913 12/20 0.43
HTR1A P08908 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
NPY5R Q15761 1/20 0.41
CAMK2D Q13557 2/20 0.40
ACP1 P24666 1/20 0.38
TLR7 Q9NYK1 1/20 0.38

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
SCHEMBL6867655 1.00 MCHR1 (0.48) MCHR1KDM4ELMNASMN1; SMN2ADRA2A
SCHEMBL6874583 0.86 LMNA (0.52) MCHR1KDM4ELMNASMN1; SMN2ADRA2A
SCHEMBL6874577 0.86 LMNA (0.52) MCHR1KDM4ELMNASMN1; SMN2ADRA2A
SCHEMBL6868937 0.84 SMN1; SMN2 (0.44) MCHR1KDM4ELMNASMN1; SMN2ADRA2A
SCHEMBL7112152 0.84 MCHR1 (0.46) MCHR1KDM4ELMNASMN1; SMN2ADRA2A
SCHEMBL6868943 0.84 SMN1; SMN2 (0.44) MCHR1KDM4ELMNASMN1; SMN2ADRA2A
SCHEMBL7112154 0.84 MCHR1 (0.46) MCHR1KDM4ELMNASMN1; SMN2ADRA2A
SCHEMBL6878575 0.84 MCHR1 (0.43) MCHR1KDM4ELMNASMN1; SMN2ADRA2A
SCHEMBL6878585 0.84 MCHR1 (0.43) MCHR1KDM4ELMNASMN1; SMN2ADRA2A
SCHEMBL6868842 0.84 MCHR1 (0.43) MCHR1KDM4ELMNASMN1; SMN2ADRA2A

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