SCHEMBL31282086

SCHEMBL31282086

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](N)Cc1ccccc1)[C@@H](C)O)[C@@H](C)O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.58
▸ CALCRL Q16602 6/20 0.54
▸ MAPK8 P45983 1/20 0.50
▸ MAPK9 P45984 1/20 0.50
▸ MAPK10 P53779 1/20 0.50
▸ OPRM1 P35372 3/20 0.48
▸ OPRD1 P41143 1/20 0.48
▸ EPHA2 P29317 1/20 0.47
▸ BDKRB2 P30411 1/20 0.47
▸ OPRK1 P41145 2/20 0.47
▸ RAMP1 O60894 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
SCHEMBL31280950 0.92 MAPK8 (0.53) SLC6A2CALCRLMAPK8MAPK9MAPK10
SCHEMBL31307292 0.87 CALCRL (0.56) SLC6A2CALCRLMAPK8MAPK9MAPK10
SCHEMBL31281843 0.87 C5AR1 (0.53) SLC6A2MAPK8MAPK9MAPK10OPRM1
SCHEMBL29457313 0.86 SLC6A2 (0.69) SLC6A2CALCRLOPRM1OPRD1EPHA2
SCHEMBL30011006 0.86 SLC6A2 (0.54) SLC6A2OPRM1OPRD1OPRK1
SCHEMBL30690152 0.85 SLC6A2 (0.67) SLC6A2OPRM1OPRD1EPHA2
SCHEMBL30625967 0.85 CALCRL (0.55) SLC6A2CALCRLMAPK8MAPK9MAPK10
SCHEMBL30676236 0.85 SLC6A2 (0.64) SLC6A2CALCRLOPRM1OPRD1EPHA2
SCHEMBL30906001 0.84 SLC6A2 (0.59) SLC6A2OPRM1OPRD1EPHA2
SCHEMBL30512590 0.84 EPHA2 (0.55) CALCRLMAPK8MAPK9MAPK10OPRM1

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
EP-4722227-A1 COMPLEX, PHARMACEUTICAL COMPOSITION, VACCINE, AND APPLICATIONS THEREOF ENU Pharma, Inc. (JP) 2026-04-08 — — EP disclosed
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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