SCHEMBL30395364

SCHEMBL30395364

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 4/20 0.48
▸ OPRM1 P35372 4/20 0.43
▸ OPRD1 P41143 4/20 0.43
▸ XIAP P98170 1/20 0.42
▸ MLX Q9UH92 1/20 0.42
▸ NTSR1 P30989 2/20 0.41
▸ CTSB P07858 2/20 0.41
▸ NMUR2 Q9GZQ4 2/20 0.40
▸ NMUR1 Q9HB89 2/20 0.40
▸ RAMP3 O60896 5/20 0.39
▸ CALCR P30988 5/20 0.39
▸ NAA50 Q9GZZ1 1/20 0.39
▸ NTSR2 O95665 1/20 0.39

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
SCHEMBL29567586 0.87 XIAP (0.42) CAPN1OPRD1XIAPMLXNTSR1
SCHEMBL29567257 0.84 XIAP (0.44) CAPN1XIAPMLXCTSB
SCHEMBL30620966 0.84 XIAP (0.45) CAPN1OPRM1OPRD1XIAPMLX
SCHEMBL30420933 0.83 CAPN1 (0.48) CAPN1OPRM1OPRD1NTSR1NMUR2
SCHEMBL31254503 0.83 RAMP3 (0.50) NMUR2NMUR1RAMP3CALCR
SCHEMBL30430384 0.82 OPRM1 (0.45) CAPN1OPRM1OPRD1NTSR1CTSB
SCHEMBL30997401 0.82 RAMP3 (0.49) RAMP3CALCR
SCHEMBL30099425 0.81 KEAP1 (0.51) CAPN1OPRM1OPRD1NMUR2NMUR1
SCHEMBL31741296 0.81 OPRM1 (0.46) CAPN1OPRM1OPRD1NTSR1NTSR2
SCHEMBL30906409 0.81 RAMP3 (0.47) NMUR2NMUR1RAMP3CALCR

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
US-20240424087-A1 MULTIEPITOPE SELF-ASSEMBLED NANOPARTICLE VACCINE PLATFORM (MSN-VACCINE PLATFORM) AND USES THERE OF TRANSLATIONAL HEALTH SCIENCE AND TECHNOLOGY INSTITUTE (IN) 2024-12-26 — — US disclosed
EP-4415748-A1 MULTIEPITOPE SELF-ASSEMBLED NANOPARTICLE VACCINE PLATFORM (MSN-VACCINE PLATFORM) AND USES THERE OF Translational Health Science and Technology Institute (IN) 2024-08-21 — — EP disclosed
WO-2023062515-A1 MULTIEPITOPE SELF-ASSEMBLED NANOPARTICLE VACCINE PLATFORM (MSN-VACCINE PLATFORM) AND USES THERE OF TRANSLATIONAL HEALTH SCIENCE AND TECHNOLOGY INSTITUTE (IN) 2023-04-20 — — WO disclosed
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