SCHEMBL30453655

SCHEMBL30453655

CC(Oc1cc(-c2ccc(C(=O)NCCCN3CCCC3)cc2)cnc1N)c1c(Cl)cccc1Cl

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MET P08581 10/20 0.74
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
JAK2 O60674 1/20 0.47
CHEK2 O96017 1/20 0.46
DRD3 P35462 3/20 0.46
DRD4 P21917 2/20 0.46
DRD2 P14416 2/20 0.45
BMPR1B O00238 1/20 0.45
BMPR1A P36894 1/20 0.45
TGFBR1 P36897 1/20 0.45
ACVRL1 P37023 1/20 0.45
ACVR1 Q04771 1/20 0.45
LMNA P02545 1/20 0.44
F10 P00742 1/20 0.44

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
SCHEMBL488611 1.00 MET (0.74) METSLC6A2SLC6A4JAK2CHEK2
SCHEMBL30452893 0.95 MET (0.81) METJAK2CHEK2BMPR1BBMPR1A
SCHEMBL488700 0.95 MET (0.81) METJAK2CHEK2BMPR1BBMPR1A
SCHEMBL30453431 0.93 MET (0.65) METJAK2DRD4DRD2F10
SCHEMBL488344 0.93 MET (0.65) METJAK2DRD4DRD2F10
SCHEMBL487966 0.90 MET (0.91) METJAK2
SCHEMBL30453174 0.90 MET (0.91) METJAK2
SCHEMBL30453602 0.88 MET (0.83) METJAK2
SCHEMBL488253 0.88 MET (0.83) METJAK2
SCHEMBL30452523 0.88 MET (0.71) MET

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