SCHEMBL6873178

SCHEMBL6873178

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=S)NCc3ccc(Cl)c(Cl)c3)CC2)nc2c1CCCC2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.46
MCHR1 Q99705 4/20 0.46
LMNA P02545 3/20 0.41
ALOX12 P18054 2/20 0.41
MAPT P10636 3/20 0.41
HRH1 P35367 2/20 0.41
HTR2B P41595 2/20 0.41
MAPK1 P28482 1/20 0.40
HTT P42858 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PKM P14618 2/20 0.38
ALPL P05186 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL6873184 1.00 ADRA2A (0.46) ADRA2AMCHR1LMNAALOX12MAPT
SCHEMBL6875979 0.90 LMNA (0.54) ADRA2AMCHR1LMNAALOX12MAPT
SCHEMBL6875974 0.90 LMNA (0.54) ADRA2AMCHR1LMNAALOX12MAPT
SCHEMBL6875977 0.90 ALOX12 (0.56) ADRA2AMCHR1LMNAALOX12MAPT
SCHEMBL6875980 0.90 ALOX12 (0.56) ADRA2AMCHR1LMNAALOX12MAPT
SCHEMBL6873166 0.89 MCHR1 (0.50) ADRA2AMCHR1HRH1HTR2BMAPK1
SCHEMBL6873172 0.89 MCHR1 (0.50) ADRA2AMCHR1HRH1HTR2BMAPK1
SCHEMBL7044566 0.87 BCHE (0.46) ADRA2AMCHR1LMNAALOX12MAPT
SCHEMBL6868673 0.87 ALPL (0.52) ADRA2AMCHR1LMNAALOX12MAPT
SCHEMBL6868667 0.87 ALPL (0.52) ADRA2AMCHR1LMNAALOX12MAPT

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