SCHEMBL7319942

SCHEMBL7319942

N=C(N)NCCC[C@H](NC(=O)C(CS)Cc1ccccc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.61
FNTA P49354 3/20 0.59
FNTB P49356 3/20 0.59
PGGT1B P53609 3/20 0.59

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
SCHEMBL11331286 0.91 MME (0.58) MMEFNTAFNTBPGGT1B
SCHEMBL9068699 0.91 MME (0.53) MMEFNTAFNTBPGGT1B
SCHEMBL9621957 0.90 FNTA (0.52) FNTAFNTBPGGT1B
SCHEMBL9621954 0.90 FNTA (0.52) FNTAFNTBPGGT1B
SCHEMBL2867874 0.86 FNTA (0.43) FNTAFNTBPGGT1B
SCHEMBL5966602 0.85 GNPAT (0.52) FNTAFNTBPGGT1B
SCHEMBL1711691 0.85 GNPAT (0.52) FNTAFNTBPGGT1B
SCHEMBL1711701 0.85 GNPAT (0.52) FNTAFNTBPGGT1B
SCHEMBL29540393 0.85 GNPAT (0.52) FNTAFNTBPGGT1B
SCHEMBL7292029 0.85 GNPAT (0.52) FNTAFNTBPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5496805-A DIURETIC, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1996-03-05 US disclosed
US-4474799-A Enkephalinase inhibitors E. R. SQUIBB & SONS, INC. (US) 1984-10-02 US disclosed
US-4474795-A ANALGESICS, MERCAPTO-ALKANOYL AMINO ACIDS E. R. SQUIBB & SONS, INC. (US) 1984-10-02 US disclosed
US-4401677-A Enkephalinase inhibitors E. R. SQUIBB & SONS, INC. (US) 1983-08-30 US disclosed