SCHEMBL6875974

SCHEMBL6875974

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=S)NCc3ccc(Cl)cc3)CC2)nc2c1CCCC2

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.54
ALOX12 P18054 2/20 0.54
ADRA2A P08913 3/20 0.45
MCHR1 Q99705 3/20 0.45
HRH1 P35367 2/20 0.45
HTR2B P41595 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PKM P14618 1/20 0.42
ALPL P05186 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
ADRA1A P35348 1/20 0.39

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
SCHEMBL6875979 1.00 LMNA (0.54) LMNAALOX12ADRA2AMCHR1HRH1
SCHEMBL7044566 0.91 BCHE (0.46) LMNAALOX12ADRA2AMCHR1SMN1; SMN2
SCHEMBL6868673 0.91 ALPL (0.52) LMNAALOX12ADRA2AMCHR1HRH1
SCHEMBL6868667 0.91 ALPL (0.52) LMNAALOX12ADRA2AMCHR1HRH1
SCHEMBL7044564 0.91 BCHE (0.46) LMNAALOX12ADRA2AMCHR1SMN1; SMN2
SCHEMBL6869028 0.91 KMT2A (0.58) LMNAALOX12ADRA2AMCHR1HRH1
SCHEMBL6869024 0.91 KMT2A (0.58) LMNAALOX12ADRA2AMCHR1HRH1
SCHEMBL6868980 0.91 LMNA (0.55) LMNAALOX12ADRA2AMCHR1HRH1
SCHEMBL6868978 0.91 LMNA (0.55) LMNAALOX12ADRA2AMCHR1HRH1
SCHEMBL6875977 0.90 ALOX12 (0.56) LMNAALOX12ADRA2AMCHR1HRH1

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