SCHEMBL31280950

SCHEMBL31280950

C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)[C@@H](C)O)[C@@H](C)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.53
▸ MAPK9 P45984 1/20 0.53
▸ MAPK10 P53779 1/20 0.53
▸ SLC6A2 P23975 1/20 0.52
▸ EPHA2 P29317 2/20 0.50
▸ OPRM1 P35372 6/20 0.49
▸ OPRK1 P41145 6/20 0.49
▸ IL23R Q5VWK5 1/20 0.49
▸ CALCRL Q16602 2/20 0.48
▸ F11 P03951 1/20 0.48
▸ NMUR2 Q9GZQ4 1/20 0.48
▸ NMUR1 Q9HB89 1/20 0.48

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
SCHEMBL31282086 0.92 SLC6A2 (0.58) MAPK8MAPK9MAPK10SLC6A2EPHA2
SCHEMBL30558096 0.88 SLC6A2 (0.60) SLC6A2EPHA2OPRM1OPRK1IL23R
SCHEMBL30512590 0.87 EPHA2 (0.55) MAPK8MAPK9MAPK10EPHA2OPRM1
SCHEMBL31281843 0.86 C5AR1 (0.53) MAPK8MAPK9MAPK10SLC6A2OPRM1
SCHEMBL30688077 0.86 MAPK8 (0.59) MAPK8MAPK9MAPK10SLC6A2EPHA2
SCHEMBL30688070 0.85 MAPK8 (0.60) MAPK8MAPK9MAPK10EPHA2NMUR2
SCHEMBL31281691 0.84 MAPK8 (0.61) MAPK8MAPK9MAPK10EPHA2CALCRL
SCHEMBL29496464 0.84 KEAP1 (0.59) SLC6A2EPHA2OPRM1IL23RNMUR2
SCHEMBL31588354 0.83 OPRM1 (0.61) EPHA2OPRM1OPRK1NMUR2NMUR1
SCHEMBL29730557 0.83 SLC6A2 (0.59) SLC6A2OPRM1IL23RNMUR2NMUR1

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
WO-2024241964-A1 COMPLEX, PHARMACEUTICAL COMPOSITION, VACCINE, AND APPLICATIONS THEREOF 遠友ファーマ株式会社 2024-11-28 — — WO disclosed
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