SCHEMBL30443604

SCHEMBL30443604

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

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 4/20 0.55
▸ NMUR1 Q9HB89 3/20 0.55
▸ OPRM1 P35372 4/20 0.53
▸ OPRD1 P41143 4/20 0.53
▸ KEAP1 Q14145 2/20 0.52
▸ PSMB9 P28065 2/20 0.51
▸ CALCRL Q16602 2/20 0.49
▸ RAMP1 O60894 1/20 0.49
▸ REN P00797 1/20 0.47
▸ F2 P00734 1/20 0.47
▸ APLNR P35414 1/20 0.47

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
SCHEMBL30443993 0.89 PSMB9 (0.54) OPRM1OPRD1KEAP1PSMB9CALCRL
SCHEMBL30186556 0.86 CALCRL (0.55) NMUR2NMUR1OPRM1OPRD1KEAP1
SCHEMBL31323239 0.85 CALCRL (0.56) NMUR2NMUR1OPRM1OPRD1KEAP1
Thymoctonan SCHEMBL1230532 0.84 REN (0.52) OPRM1OPRD1KEAP1CALCRLRAMP1
Thymoctonan SCHEMBL15532000 0.84 REN (0.52) OPRM1OPRD1KEAP1CALCRLRAMP1
SCHEMBL30289679 0.84 SLC6A2 (0.58) OPRM1OPRD1PSMB9CALCRLRAMP1
SCHEMBL29884359 0.83 OPRM1 (0.55) NMUR2OPRM1OPRD1KEAP1PSMB9
SCHEMBL29579416 0.83 CALCRL (0.54) OPRM1OPRD1PSMB9CALCRLRAMP1
SCHEMBL30259604 0.83 REN (0.53) OPRM1OPRD1CALCRLRAMP1REN
SCHEMBL29579716 0.83 CALCRL (0.61) OPRM1OPRD1PSMB9CALCRLRAMP1

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
US-11833185-B2 Anti-neurodegenerative therapeutic, method of manufacture, and use UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2023-12-05 — — US disclosed
EP-3664831-B1 ANTI-NEURODEGENERATIVE THERAPEUTIC AND USE UNIV KENTUCKY RES FOUND (US) 2023-06-14 — — EP disclosed
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