SCHEMBL6161839

SCHEMBL6161839

O=C(NC(Cc1ccc(-c2nccs2)cc1)C(=O)O)C(CS)Cc1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.56
ECE1 P42892 1/20 0.48
HRH4 Q9H3N8 1/20 0.48

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
SCHEMBL6161489 1.00 MME (0.56) MMEECE1HRH4
SCHEMBL6161590 0.92 MME (0.66) MMEHRH4
SCHEMBL6161582 0.92 MME (0.66) MMEHRH4
SCHEMBL6574501 0.92 MME (0.66) MMEHRH4
SCHEMBL3410335 0.92 MME (0.66) MMEHRH4
SCHEMBL7315829 0.92 MME (0.66) MMEHRH4
SCHEMBL6159974 0.85 MME (0.67) MMEHRH4
SCHEMBL6160503 0.85 MME (0.67) MMEHRH4
SCHEMBL6161548 0.85 MME (0.67) MMEHRH4
SCHEMBL6162737 0.84 MME (0.53) MME

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-0877740-B1 THIOL DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 2005-03-30 EP disclosed