SCHEMBL30453416

SCHEMBL30453416

CN(C)[C@@H]1CCN(C(=O)c2ccc(-c3cnc(N)c(OCc4c(F)ccc(F)c4Cl)n3)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ATR Q13535 17/20 0.56
CSF1R P07333 1/20 0.48
KCNH2 Q12809 1/20 0.47
MET P08581 1/20 0.46

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
SCHEMBL30453297 1.00 ATR (0.56) ATRCSF1RKCNH2MET
SCHEMBL488091 1.00 ATR (0.56) ATRCSF1RKCNH2MET
SCHEMBL488602 1.00 ATR (0.56) ATRCSF1RKCNH2MET
SCHEMBL14492860 0.92 ATR (0.57) ATRCSF1R
SCHEMBL488340 0.92 ATR (0.57) ATRCSF1R
SCHEMBL30453677 0.92 ATR (0.57) ATRCSF1R
SCHEMBL487921 0.89 KCNH2 (0.58) ATRCSF1RKCNH2MET
SCHEMBL10216280 0.89 KCNH2 (0.58) ATRCSF1RKCNH2MET
SCHEMBL30453824 0.89 KCNH2 (0.58) ATRCSF1RKCNH2MET
SCHEMBL487662 0.85 MET (0.63) ATRMET

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