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Sugi Predict / Compounds / SCHEMBL31196708

SCHEMBL31196708

SCHEMBL31196708

CSCC[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 2/20 0.58
▸ NMUR2 Q9GZQ4 6/20 0.57
▸ NMUR1 Q9HB89 6/20 0.57
▸ OPRM1 P35372 4/20 0.55
▸ OPRD1 P41143 4/20 0.55
▸ MAPK8 P45983 1/20 0.53
▸ MAPK9 P45984 1/20 0.53
▸ MAPK10 P53779 1/20 0.53
▸ CXCR4 P61073 1/20 0.51
▸ RAMP3 O60896 3/20 0.50
▸ CALCR P30988 3/20 0.50
▸ EPHA2 P29317 1/20 0.50

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
SCHEMBL29416059 0.90 NMUR2 (0.59) APLNRNMUR2NMUR1MAPK8MAPK9
SCHEMBL30495655 0.88 NMUR2 (0.64) NMUR2NMUR1CXCR4RAMP3CALCR
SCHEMBL31433244 0.88 APLNR (0.58) APLNRNMUR2NMUR1OPRM1MAPK8
SCHEMBL31154639 0.88 OPRD1 (0.58) APLNRNMUR2NMUR1OPRM1OPRD1
SCHEMBL31433229 0.86 MAPK8 (0.58) APLNRNMUR2NMUR1OPRM1MAPK8
SCHEMBL30930553 0.86 NMUR2 (0.67) NMUR2NMUR1OPRM1OPRD1CXCR4
SCHEMBL8067075 0.86 NMUR2 (0.58) NMUR2NMUR1OPRM1CXCR4
SCHEMBL8067081 0.86 NMUR2 (0.58) NMUR2NMUR1OPRM1CXCR4
SCHEMBL30930551 0.86 CALCR (0.55) APLNRNMUR2NMUR1OPRM1OPRD1
SCHEMBL30842169 0.85 NMUR2 (0.65) APLNRNMUR2NMUR1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4705287-A1 SMALL MOLECULE HUMANIN MIMETICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2026-03-11 — — EP claimed
WO-2024226731-A1 SMALL MOLECULE HUMANIN MIMETICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-10-31 — — WO claimed
EP-4705287-A1 SMALL MOLECULE HUMANIN MIMETICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2026-03-11 — — EP disclosed
WO-2024226731-A1 SMALL MOLECULE HUMANIN MIMETICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-10-31 — — WO disclosed
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