SCHEMBL7328790

SCHEMBL7328790

COP(=O)(OC)C(CCNC(=O)OCc1ccccc1)N[C@@H](CC(C)C)C(=O)N(C(N)=O)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.44
SLC1A1 P43005 1/20 0.44
MME P08473 1/20 0.42
ECE1 P42892 1/20 0.42
ACE2 Q9BYF1 1/20 0.42

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
SCHEMBL7325571 0.92 SLC1A3 (0.45) SLC1A3SLC1A1MMEECE1ACE2
SCHEMBL7323541 0.87 ANPEP (0.38) MMEECE1ACE2
SCHEMBL7323423 0.84 TACR3 (0.36)
SCHEMBL7321472 0.84 CA12 (0.37) MMEACE2
SCHEMBL7326674 0.83 MME (0.36) MMEECE1ACE2
SCHEMBL7320171 0.82 CPA1 (0.41) MMEECE1ACE2
SCHEMBL9348204 0.81 ECE1 (0.51) MMEECE1ACE2
SCHEMBL7322317 0.81 MMP1 (0.47)
SCHEMBL7328781 0.79 CAPN1 (0.50)
SCHEMBL7324109 0.77 CPA1 (0.39) MMEECE1ACE2

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-0612324-A1 PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1994-08-31 EP disclosed
WO-1993009136-A1 PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1993-05-13 WO disclosed