SCHEMBL30063804

SCHEMBL30063804

CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.58
▸ OPRD1 P41143 4/20 0.53
▸ OPRM1 P35372 2/20 0.53
▸ C5AR1 P21730 1/20 0.52
▸ KEAP1 Q14145 1/20 0.51
▸ NMUR2 Q9GZQ4 2/20 0.51
▸ NMUR1 Q9HB89 2/20 0.51
▸ KDM1A O60341 1/20 0.51
▸ MAOB P27338 1/20 0.51
▸ KDM5A P29375 1/20 0.51
▸ KDM1B Q8NB78 1/20 0.51
▸ EP300 Q09472 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ NPY1R P25929 1/20 0.50
▸ NPY2R P49146 1/20 0.50
▸ NPY4R P50391 1/20 0.50
▸ NPY5R Q15761 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
SCHEMBL30062944 0.89 EPHA2 (0.47) EPHA2KEAP1EP300HIF1ANPY1R
SCHEMBL30064478 0.88 C5AR1 (0.54) EPHA2C5AR1KEAP1
SCHEMBL30063854 0.87 EPHA2 (0.57) EPHA2C5AR1NMUR2NMUR1KDM1A
SCHEMBL30571151 0.86 EPHA2 (0.58) EPHA2KEAP1KDM1AMAOBKDM5A
SCHEMBL30074500 0.85 OPRM1 (0.61) EPHA2OPRD1OPRM1NMUR2NMUR1
SCHEMBL29980542 0.85 EPHA2 (0.59) EPHA2OPRD1OPRM1NMUR2NMUR1
SCHEMBL29540337 0.85 EPHA2 (0.54) EPHA2OPRD1OPRM1KEAP1NMUR2
SCHEMBL29972798 0.84 C5AR1 (0.56) EPHA2OPRD1OPRM1C5AR1
SCHEMBL30844077 0.84 OPRD1 (0.66) EPHA2OPRD1OPRM1NMUR2NMUR1
SCHEMBL29531760 0.84 CALCRL (0.53) EPHA2OPRD1OPRM1KEAP1

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
EP-3197912-B1 LIPIDATED AMIDE-BASED INSULIN PRODRUGS UNIV INDIANA RES & TECH CORP (US) 2023-01-04 — — EP disclosed
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