SCHEMBL6880757

SCHEMBL6880757

CN(C)c1cc(NC2CCC(CNCCCCCCc3ccccc3)CC2)nc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.48
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
APP P05067 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
ADRA2A P08913 3/20 0.39
NPY5R Q15761 2/20 0.39
SIGMAR1 Q99720 6/20 0.39
NAPEPLD Q6IQ20 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DGAT1 O75907 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37

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
SCHEMBL6880754 1.00 MCHR1 (0.48) MCHR1KDM4ELMNASMN1; SMN2APP
SCHEMBL6878808 1.00 MCHR1 (0.48) MCHR1KDM4ELMNASMN1; SMN2APP
SCHEMBL6878811 1.00 MCHR1 (0.48) MCHR1KDM4ELMNASMN1; SMN2APP
SCHEMBL6874146 0.92 MCHR1 (0.44) MCHR1LMNAAPPBCHEACHE
SCHEMBL6874150 0.92 MCHR1 (0.44) MCHR1LMNAAPPBCHEACHE
SCHEMBL6872666 0.90 MCHR1 (0.43) MCHR1KDM4ELMNASMN1; SMN2ADRA2A
SCHEMBL6872664 0.90 MCHR1 (0.43) MCHR1KDM4ELMNASMN1; SMN2ADRA2A
SCHEMBL6875335 0.88 MCHR1 (0.46) MCHR1KDM4ELMNASMN1; SMN2APP
SCHEMBL6875330 0.88 MCHR1 (0.46) MCHR1KDM4ELMNASMN1; SMN2APP
SCHEMBL6878985 0.87 MCHR1 (0.45) 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