SCHEMBL30063006

SCHEMBL30063006

N=C(N)NCCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)NCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.41
▸ BDKRB2 P30411 1/20 0.39
▸ OPRD1 P41143 8/20 0.38
▸ OPRM1 P35372 4/20 0.38
▸ APLNR P35414 1/20 0.38
▸ NMUR2 Q9GZQ4 1/20 0.37
▸ NMUR1 Q9HB89 1/20 0.37
▸ CXCR4 P61073 1/20 0.36
▸ KEAP1 Q14145 1/20 0.36

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
SCHEMBL30379247 0.89 PLK1 (0.41) PLK1APLNR
SCHEMBL29496452 0.84 PLK1 (0.44) PLK1OPRD1OPRM1
SCHEMBL30385468 0.84 NRP1 (0.43) PLK1OPRD1OPRM1APLNRNMUR2
SCHEMBL30658573 0.84 NMUR2 (0.43) PLK1OPRD1OPRM1NMUR2NMUR1
SCHEMBL29630345 0.83 NPY4R (0.46) —
SCHEMBL30063856 0.83 NPY4R (0.46) —
SCHEMBL31257058 0.83 PLK1 (0.40) PLK1OPRD1OPRM1APLNRNMUR2
SCHEMBL30563220 0.83 NTMT1 (0.41) PLK1OPRM1APLNRNMUR2NMUR1
SCHEMBL30372053 0.82 NPY4R (0.47) —
SCHEMBL30372267 0.82 NPY4R (0.47) —

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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