SCHEMBL6574501

SCHEMBL6574501

O=C(O)C(Cc1ccc(-c2nccs2)cc1)NC(=O)[C@@H](CS)Cc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.66
HRH4 Q9H3N8 1/20 0.55

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
SCHEMBL6161582 1.00 MME (0.66) MMEHRH4
SCHEMBL7315829 1.00 MME (0.66) MMEHRH4
SCHEMBL6161590 1.00 MME (0.66) MMEHRH4
SCHEMBL3410335 1.00 MME (0.66) MMEHRH4
SCHEMBL6161839 0.92 MME (0.56) MMEHRH4
SCHEMBL6161489 0.92 MME (0.56) MMEHRH4
SCHEMBL6162737 0.90 MME (0.53) MME
SCHEMBL6162747 0.90 MME (0.53) MME
SCHEMBL6161391 0.89 MME (0.53) MMEHRH4
SCHEMBL6161384 0.89 MME (0.53) MMEHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474405-A2 PROCESS FOR THE PREPARATION OF 4-HETERO-SUBSTITUTED PHENYLALANINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2004-11-10 EP disclosed
WO-2003068725-A2 PROCESS FOR THE PREPARATION OF 4-HETERO-SUBSTITUTED PHENYLALANINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-08-21 WO disclosed