SCHEMBL7293136

SCHEMBL7293136

CSCCC(NC(=O)C1(CS)Cc2ccccc2C1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.57
FNTB P49356 2/20 0.57
MME P08473 1/20 0.51
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 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
SCHEMBL7293127 1.00 FNTA (0.57) FNTAFNTBMMENPSR1ALDH1A1
SCHEMBL7302528 0.74 FNTA (0.47) FNTAFNTBMMEALDH1A1
SCHEMBL7302194 0.73 MMP1 (0.55) MME
SCHEMBL7358632 0.73 PPID (0.51) FNTAFNTBALDH1A1
SCHEMBL9830756 0.72 ITGA4 (0.53) FNTAFNTBNPSR1ALDH1A1
SCHEMBL9830761 0.72 ITGA4 (0.53) FNTAFNTBNPSR1ALDH1A1
SCHEMBL7325684 0.71 MME (0.55) MME
SCHEMBL1158031 0.71 CA2 (0.69) FNTAFNTBNPSR1ALDH1A1
SCHEMBL1158033 0.71 CA2 (0.69) FNTAFNTBNPSR1ALDH1A1
SCHEMBL9461939 0.71 CA2 (0.69) FNTAFNTBNPSR1ALDH1A1

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
EP-0516980-B1 Novel 2-mercaptomethylene-tetrahydronaphthalene and indane-2-carboxamide derivatives as enkephalinase inhibitors MERRELL PHARMA INC (US) 1996-04-17 EP disclosed