SCHEMBL6877753

SCHEMBL6877753

CN(C)c1ccnc(N[C@H]2CC[C@@H](N(CC(Cl)(Cl)Cl)C(=O)O)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.39
JAK3 P52333 2/20 0.39
MCHR1 Q99705 11/20 0.38
ADRA2A P08913 4/20 0.38
HRH1 P35367 4/20 0.38
HTR2B P41595 3/20 0.38
ADRA1A P35348 2/20 0.38
MAPK8 P45983 2/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
MAPK14 Q16539 3/20 0.37
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
DRD2 P14416 1/20 0.35

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
SCHEMBL6877758 1.00 LCK (0.39) LCKJAK3MCHR1ADRA2AHRH1
SCHEMBL6878052 0.91 HRH4 (0.42) LCKJAK3MCHR1ADRA2AHRH1
SCHEMBL6878045 0.91 HRH4 (0.42) LCKJAK3MCHR1ADRA2AHRH1
SCHEMBL6879291 0.84 MAPK14 (0.40) LCKJAK3MCHR1ADRA2AHRH1
SCHEMBL6879294 0.84 MAPK14 (0.40) LCKJAK3MCHR1ADRA2AHRH1
SCHEMBL6868816 0.82 CNR1 (0.39) LCKJAK3MCHR1ADRA2AHRH1
SCHEMBL6877016 0.79 MAPK8 (0.39) LCKJAK3MCHR1ADRA2AHRH1
SCHEMBL6877019 0.79 MAPK8 (0.39) LCKJAK3MCHR1ADRA2AHRH1
SCHEMBL6877440 0.78 MAPK8 (0.40) JAK3MCHR1MAPK8MAPK9MAPK10
SCHEMBL6877450 0.78 MAPK8 (0.40) JAK3MCHR1MAPK8MAPK9MAPK10

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