SCHEMBL30452829

SCHEMBL30452829

Nc1ncc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1OCc1ccccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.56
CD274 Q9NZQ7 10/20 0.56
HPGD P15428 1/20 0.56
HPGDS O60760 2/20 0.52
ALDH1A1 P00352 1/20 0.50
HTR1A P08908 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
KCNH2 Q12809 1/20 0.50
ERBB2 P04626 1/20 0.49

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
SCHEMBL487776 1.00 MET (0.56) METCD274HPGDHPGDSALDH1A1
SCHEMBL30454410 0.95 MET (0.55) METCD274HPGDALDH1A1
SCHEMBL488059 0.95 MET (0.55) METCD274HPGDALDH1A1
SCHEMBL30452636 0.91 MET (0.56) METCD274HPGDALDH1A1HTR1A
SCHEMBL487659 0.91 MET (0.56) METCD274HPGDALDH1A1HTR1A
SCHEMBL30453287 0.90 CD274 (0.58) METCD274HPGDALDH1A1HTR1A
SCHEMBL488424 0.90 CD274 (0.58) METCD274HPGDALDH1A1HTR1A
SCHEMBL487760 0.89 MET (0.58) METCD274HPGDHPGDS
SCHEMBL487702 0.88 MET (0.57) METCD274HPGDHPGDS
SCHEMBL30454041 0.88 MET (0.57) METCD274HPGDHPGDS

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