SCHEMBL9376161

SCHEMBL9376161

O=c1c2ccccc2sn1CCCl

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 5/20 0.66
FAAH O00519 2/20 0.62
MGLL Q99685 2/20 0.62
KAT2A Q92830 1/20 0.60
KAT2B Q92831 1/20 0.60

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
SCHEMBL9379447 0.90 FAAH (0.68) CASP3FAAHMGLLKAT2AKAT2B
SCHEMBL11278746 0.89 CASP3 (0.74) CASP3FAAHMGLLKAT2AKAT2B
SCHEMBL9594067 0.88 FAAH (0.70) CASP3FAAHMGLLKAT2AKAT2B
SCHEMBL24836229 0.85 FAAH (0.76) CASP3FAAHMGLLKAT2AKAT2B
SCHEMBL24836231 0.85 FAAH (0.81) CASP3FAAHMGLLKAT2AKAT2B
SCHEMBL24836228 0.84 FAAH (0.84) CASP3FAAHMGLLKAT2AKAT2B
SCHEMBL24690027 0.82 CASP3 (0.66) CASP3FAAHMGLLKAT2AKAT2B
SCHEMBL8356552 0.82 CASP3 (0.66) CASP3FAAHMGLLKAT2AKAT2B
SCHEMBL8070856 0.82 CASP3 (0.66) CASP3FAAHMGLLKAT2AKAT2B
SCHEMBL20350783 0.82 CASP3 (0.66) CASP3FAAHMGLLKAT2AKAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0625978-A1 PIPERAZINE AND PIPERIDINE DERIVATIVES, AND THEIR USE AS ANTIPSYCHOTICS THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-30 EP disclosed
WO-1993016073-A1 PIPERAZINE AND PIPERIDINE DERIVATIVES, AND THEIR USE AS ANTIPSYCHOTICS THE WELLCOME FOUNDATION LIMITED (GB) 1993-08-19 WO disclosed
EP-0018100-B1 SUBSTITUTED AROMATIC BIOLOGICALLY ACTIVE COMPOUND, A PROCESS FOR ITS PREPARATION AND ITS USE AS BIOCIDE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-01-18 EP disclosed