SCHEMBL7477934

SCHEMBL7477934

CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H]([C]=O)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 4/20 0.56
▸ F2 P00734 1/20 0.53
▸ STAT6 P42226 1/20 0.51
▸ XIAP P98170 5/20 0.50
▸ OPRK1 P41145 2/20 0.48
▸ OPRM1 P35372 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
SCHEMBL9450535 0.97 ACE (0.54) ACEF2STAT6XIAPOPRK1
SCHEMBL9450538 0.95 ACE (0.54) ACEF2STAT6XIAPOPRK1
SCHEMBL7464019 0.95 ACE (0.53) ACEF2XIAPOPRK1OPRM1
SCHEMBL7473007 0.93 ACE (0.52) ACEF2STAT6XIAPOPRK1
SCHEMBL7471889 0.91 OPRD1 (0.53) ACEOPRK1OPRM1
SCHEMBL9450517 0.91 ACE (0.51) ACEF2OPRK1OPRM1
SCHEMBL9450537 0.91 OPRK1 (0.54) ACEF2STAT6XIAPOPRK1
SCHEMBL9450523 0.91 ACE (0.56) ACEF2STAT6XIAPOPRK1
SCHEMBL9710298 0.89 ACE (0.51) ACEF2STAT6XIAPOPRK1
SCHEMBL9450571 0.87 XIAP (0.48) XIAPOPRK1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564588-A4 HEXA- AND HEPTAPEPTIDE ANAPHYLATOXIN-RECEPTOR LIGANDS — 1993-12-29 — — EP disclosed
EP-0564588-A1 HEXA- AND HEPTAPEPTIDE ANAPHYLATOXIN-RECEPTOR LIGANDS. ABBOTT LAB (US) 1993-10-13 — — EP disclosed
WO-1992011858-A1 HEXA- AND HEPTAPEPTIDE ANAPHYLATOXIN-RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 1992-07-23 — — WO disclosed
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