SCHEMBL29565378

SCHEMBL29565378

CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.40
▸ CTSS P25774 3/20 0.40
▸ CTSK P43235 3/20 0.40
▸ CTSH P09668 1/20 0.40
▸ F2 P00734 4/20 0.40
▸ MC4R P32245 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ LNPEP Q9UIQ6 3/20 0.38
▸ CMA1 P23946 1/20 0.38
▸ C5AR1 P21730 1/20 0.38
▸ TRHR P34981 1/20 0.37

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
SCHEMBL31201041 0.94 CTSL (0.41) CTSLCTSSCTSKCTSHF2
SCHEMBL30542895 0.89 CTSL (0.43) CTSLCTSSCTSKCTSHF2
SCHEMBL29566010 0.84 OPRM1 (0.52) OPRM1OPRD1CMA1
SCHEMBL29565052 0.83 OPRM1 (0.54) OPRM1OPRD1LNPEP
SCHEMBL29565358 0.83 XIAP (0.43) OPRM1OPRD1
SCHEMBL29565363 0.83 OPRM1 (0.43) OPRM1OPRD1
SCHEMBL29498239 0.82 DPP4 (0.38) CTSLCTSSCTSKF2OPRM1
SCHEMBL29565353 0.82 XIAP (0.40) F2OPRM1OPRD1
SCHEMBL29566101 0.82 PTGS1 (0.43) F2OPRM1OPRD1
SCHEMBL29498244 0.82 DPP4 (0.40) F2OPRM1

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-3981419-A1 BIOULTRABOND - A NOVEL SEALANT, GLUE OR FILLER FOR BIOLOGICAL TISSUES Albert-Ludwigs-Universität Freiburg (DE) 2022-04-13 — — EP disclosed
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