SCHEMBL18769481

SCHEMBL18769481

NC1(c2cc(F)ccc2Cl)CCC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.39
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
SLC6A3 Q01959 2/20 0.35
SLC6A4 P31645 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34

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
Hydrochloric Acid SCHEMBL18742535 0.98 KDM1A (0.38) KDM1APSEN1PSEN2APH1BNCSTN
SCHEMBL18769476 0.85 HDAC3 (0.37) KDM1APSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL18742684 0.84 SLC6A4 (0.37) KDM1ASLC6A3SLC6A4HDAC6
SCHEMBL18769581 0.81 PSEN1 (0.43) KDM1APSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL18742554 0.79 PSEN1 (0.42) KDM1APSEN1PSEN2APH1BNCSTN
SCHEMBL15934498 0.77 BACE1 (0.43) KDM1A
SCHEMBL13229765 0.77 HDAC6 (0.39) KDM1APSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL18742430 0.76 BACE1 (0.42) KDM1A
SCHEMBL18742442 0.75 HDAC4 (0.43) KDM1APSEN1PSEN2APH1BNCSTN
SCHEMBL18742587 0.74 SLC6A4 (0.39) KDM1APSEN1PSEN2APH1BNCSTN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3362445-B1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2023-01-25 EP disclosed
WO-2017065473-A1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-04-20 WO disclosed