SCHEMBL30453380

SCHEMBL30453380

CC(Oc1nc(-c2ccc(NC(=O)NCCN3CCCC3)cc2)cnc1N)c1c(F)ccc(F)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MET P08581 6/20 0.55
CNR1 P21554 2/20 0.46
ATR Q13535 3/20 0.46
MAP4K3 Q8IVH8 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
KCNH2 Q12809 1/20 0.44
HTR4 Q13639 1/20 0.44
CHEK2 O96017 1/20 0.42
EPHX2 P34913 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
SCHEMBL488697 1.00 MET (0.55) METCNR1ATRMAP4K3ADRA2A
SCHEMBL488395 0.94 CNR1 (0.49) METCNR1MAP4K3EPHX2
SCHEMBL30453036 0.94 CNR1 (0.49) METCNR1MAP4K3EPHX2
SCHEMBL488227 0.89 MET (0.68) METATRMAP4K3CHEK2
SCHEMBL30454506 0.89 MET (0.68) METATRMAP4K3CHEK2
SCHEMBL30452704 0.88 MET (0.45) METATRMAP4K3CHEK2
SCHEMBL488978 0.88 MET (0.45) METATRMAP4K3CHEK2
SCHEMBL488931 0.87 MET (0.55) METCNR1ADRA2AADRA2BKCNH2
SCHEMBL487919 0.86 MET (0.74) METCNR1
SCHEMBL30452751 0.86 MET (0.74) METCNR1

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