SCHEMBL30064441

SCHEMBL30064441

N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)CN)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.41
▸ OPRM1 P35372 6/20 0.41
▸ OPRK1 P41145 6/20 0.41
▸ APLNR P35414 3/20 0.40
▸ C5AR1 P21730 1/20 0.40
▸ NTMT1 Q9BV86 1/20 0.39
▸ NMUR2 Q9GZQ4 1/20 0.39
▸ NMUR1 Q9HB89 1/20 0.39
▸ ACE P12821 1/20 0.39
▸ FAP Q12884 1/20 0.39
▸ BDKRB2 P30411 1/20 0.39
▸ OPRD1 P41143 1/20 0.39

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
SCHEMBL29496458 0.92 NMUR2 (0.41) F2OPRM1OPRK1APLNRNTMT1
SCHEMBL30495598 0.88 NMUR2 (0.49) F2OPRM1OPRK1APLNRNMUR2
SCHEMBL29556306 0.87 BDKRB2 (0.39) OPRM1NMUR2NMUR1BDKRB2OPRD1
SCHEMBL31468806 0.87 APLNR (0.44) F2OPRM1OPRK1APLNRNTMT1
SCHEMBL38657767 0.87 NMUR2 (0.47) F2OPRM1OPRK1APLNRC5AR1
SCHEMBL29569634 0.87 NTMT1 (0.47) F2OPRM1OPRK1APLNRNTMT1
SCHEMBL31593253 0.85 APLNR (0.50) OPRM1OPRK1APLNR
SCHEMBL29886846 0.85 OPRM1 (0.54) OPRM1OPRK1APLNRNMUR2NMUR1
SCHEMBL31393112 0.85 OPRM1 (0.47) OPRM1OPRK1APLNR
SCHEMBL30062951 0.84 SLC15A2 (0.44) —

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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