SCHEMBL9749653

SCHEMBL9749653

CC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)CNC(=O)C(Cc1c[nH]cn1)NC(=O)C(N)CCCCN)C(C)C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.48
▸ BACE1 P56817 1/20 0.43
▸ OPRM1 P35372 5/20 0.43
▸ OPRD1 P41143 5/20 0.43
▸ CTSD P07339 1/20 0.43
▸ GRPR P30550 1/20 0.41

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
SCHEMBL9642284 1.00 C5AR1 (0.48) C5AR1BACE1OPRM1OPRD1CTSD
SCHEMBL9389401 1.00 C5AR1 (0.48) C5AR1BACE1OPRM1OPRD1CTSD
SCHEMBL8432592 1.00 C5AR1 (0.48) C5AR1BACE1OPRM1OPRD1CTSD
SCHEMBL8954002 0.98 C5AR1 (0.47) C5AR1OPRM1OPRD1
SCHEMBL8436819 0.94 C5AR1 (0.46) C5AR1OPRM1OPRD1GRPR
SCHEMBL29904559 0.90 C5AR1 (0.48) C5AR1BACE1CTSD
SCHEMBL9642387 0.90 C5AR1 (0.43) C5AR1OPRM1OPRD1GRPR
SCHEMBL9751589 0.89 OPRK1 (0.45) C5AR1BACE1CTSD
SCHEMBL9751592 0.89 OPRK1 (0.45) C5AR1BACE1CTSD
SCHEMBL9389399 0.87 SLC15A2 (0.46) C5AR1CTSD

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-0514460-A1 ANTI-OXIDATIVE AND ANTI-INFLAMMATORY METAL:PEPTIDE COMPLEXES AND USES THEREOF PROCYTE CORPORATION (US) 1992-11-25 — — EP disclosed
WO-1991012267-A1 ANTI-OXIDATIVE AND ANTI-INFLAMMATORY METAL:PEPTIDE COMPLEXES AND USES THEREOF PROCYTE CORPORATION (US) 1991-08-22 — — WO disclosed
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