SCHEMBL30074500

SCHEMBL30074500

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

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.61
▸ OPRD1 P41143 4/20 0.61
▸ NMUR2 Q9GZQ4 5/20 0.59
▸ NMUR1 Q9HB89 5/20 0.59
▸ EPHA2 P29317 2/20 0.58
▸ RAMP3 O60896 1/20 0.55
▸ CALCR P30988 1/20 0.55
▸ KDM1A O60341 2/20 0.54
▸ MAOB P27338 1/20 0.54
▸ KDM5A P29375 1/20 0.54
▸ KDM1B Q8NB78 1/20 0.54
▸ EP300 Q09472 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ CXCR4 P61073 2/20 0.53
▸ TFPI P10646 2/20 0.53

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
SCHEMBL30302482 0.89 NMUR2 (0.62) OPRM1OPRD1NMUR2NMUR1EPHA2
SCHEMBL30974354 0.88 OPRM1 (0.58) OPRM1OPRD1NMUR2NMUR1EPHA2
SCHEMBL29865083 0.88 OPRM1 (0.62) OPRM1OPRD1NMUR2NMUR1EPHA2
SCHEMBL29865041 0.88 OPRM1 (0.62) OPRM1OPRD1NMUR2NMUR1EPHA2
SCHEMBL29864847 0.88 OPRM1 (0.62) OPRM1OPRD1NMUR2NMUR1EPHA2
SCHEMBL29860140 0.88 RAMP3 (0.60) OPRM1OPRD1NMUR2NMUR1EPHA2
SCHEMBL30844077 0.87 OPRD1 (0.66) OPRM1OPRD1NMUR2NMUR1EPHA2
SCHEMBL32671608 0.87 RAMP3 (0.60) OPRM1OPRD1NMUR2NMUR1EPHA2
SCHEMBL31174223 0.87 NPY2R (0.64) RAMP3CALCRKDM1AMAOBKDM5A
SCHEMBL29864806 0.86 OPRM1 (0.59) OPRM1OPRD1NMUR2NMUR1EPHA2

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-20230093708-A1 PROTEIN NANOPARTICLE DESIGN AND APPLICATION DUKE UNIVERSITY 2023-03-23 — — US disclosed
EP-4087616-A1 PROTEIN NANOPARTICLE DESIGN AND APPLICATION Duke University (US) 2022-11-16 — — EP disclosed
Send feedback