SCHEMBL30453082

SCHEMBL30453082

CC(Oc1nc(-c2ccc(C(=O)NCCCN3CCCC3)cc2)cnc1N)c1c(Cl)cccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.63
CHEK2 O96017 1/20 0.63
ATR Q13535 6/20 0.51
CSF1R P07333 1/20 0.47
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
DRD3 P35462 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 3/20 0.43
THRB P10828 1/20 0.42

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
SCHEMBL487993 1.00 MET (0.63) METCHEK2ATRCSF1RHTR1A
SCHEMBL30453897 0.95 MET (0.65) METCHEK2ATRCSF1R
SCHEMBL488319 0.95 MET (0.65) METCHEK2ATRCSF1R
SCHEMBL30452733 0.93 MET (0.55) METCHEK2ATRDRD2
SCHEMBL488699 0.93 MET (0.55) METCHEK2ATRDRD2
SCHEMBL488473 0.89 MET (0.62) METCHEK2ATRLMNAMAPT
SCHEMBL30452643 0.89 MET (0.62) METCHEK2ATRLMNAMAPT
SCHEMBL488149 0.88 MET (0.60) METCHEK2ATRHTR1A
SCHEMBL30454540 0.88 MET (0.60) METCHEK2ATRHTR1A
SCHEMBL30453791 0.88 ATR (0.59) METCHEK2ATR

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
CN-113181362-B Medicament for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2023-06-13 CN disclosed