SCHEMBL21600767

SCHEMBL21600767

CCCCCC(=O)NCCSN

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.58
DNM1 Q05193 2/20 0.54
CASP2 P42575 1/20 0.53
LPAR1 Q92633 1/20 0.52
SLC6A5 Q9Y345 2/20 0.50
NAAA Q02083 1/20 0.50
EPHX2 P34913 3/20 0.47
SELP P16109 1/20 0.47
HSP90AA1 P07900 1/20 0.47
CNR1 P21554 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
SCHEMBL6261331 0.83 FAAH (0.65) FAAHDNM1CASP2LPAR1NAAA
SCHEMBL1630120 0.82 FAAH (0.73) FAAHDNM1CASP2NAAAEPHX2
SCHEMBL21600753 0.81 TSHR (0.43) FAAHDNM1CASP2LPAR1NAAA
SCHEMBL20048669 0.81 FAAH (0.58) FAAHDNM1CASP2LPAR1NAAA
SCHEMBL12360830 0.81 FAAH (0.62) FAAHDNM1CASP2LPAR1NAAA
SCHEMBL5505706 0.81 FAAH (0.58) FAAHDNM1CASP2LPAR1NAAA
SCHEMBL23394528 0.81 SLC6A5 (0.54) FAAHDNM1CASP2LPAR1SLC6A5
SCHEMBL21600771 0.80 FAAH (0.36) FAAHDNM1LPAR1EPHX2
SCHEMBL5500554 0.80 FAAH (0.61) FAAHDNM1CASP2LPAR1NAAA
SCHEMBL25008200 0.80 FAAH (0.77) FAAHDNM1CASP2NAAAEPHX2

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
WO-2019241851-A1 INHIBITORS OF LYSINE BIOSYNTHESIS VIA THE DIAMINOPIMELATE PATHWAY LA TROBE UNIVERSITY (AU) 2019-12-26 WO disclosed