SCHEMBL28515939

SCHEMBL28515939

CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N(N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 1/20 0.55
▸ NMUR2 Q9GZQ4 2/20 0.52
▸ NMUR1 Q9HB89 2/20 0.52
▸ OPRD1 P41143 3/20 0.52
▸ OPRM1 P35372 1/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ SLC6A2 P23975 1/20 0.51
▸ KISS1R Q969F8 3/20 0.51
▸ KDM1A O60341 1/20 0.50
▸ CALCRL Q16602 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
Phenylalanine Amide SCHEMBL28515941 0.88 SLC6A2 (0.59) IL23RNMUR2NMUR1OPRD1OPRM1
SCHEMBL29530789 0.81 SLC6A2 (0.70) OPRD1OPRM1OPRK1SLC6A2CALCRL
SCHEMBL29530950 0.81 SLC6A2 (0.70) OPRD1OPRM1OPRK1SLC6A2CALCRL
SCHEMBL29392847 0.80 SLC6A2 (0.60) OPRD1OPRM1OPRK1SLC6A2
SCHEMBL31151473 0.79 OPRD1 (0.61) OPRD1OPRM1OPRK1SLC6A2
SCHEMBL29376486 0.78 SLC6A2 (0.57) OPRD1OPRM1OPRK1SLC6A2KDM1A
SCHEMBL31369283 0.78 SLC6A2 (0.71) NMUR2NMUR1OPRD1OPRM1OPRK1
SCHEMBL31362624 0.77 SLC6A2 (0.59) OPRD1OPRM1OPRK1SLC6A2
SCHEMBL31410882 0.77 SLC6A2 (0.67) OPRD1OPRM1OPRK1SLC6A2
SCHEMBL29591831 0.77 SLC6A2 (0.62) OPRD1OPRM1OPRK1SLC6A2

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
CN-107188937-B Preparation method of drug RIP1183 for resisting multi-drug resistant staphylococcus infection 中国人民解放军第四军医大学 2021-02-09 — — CN claimed
CN-107188937-B Preparation method of drug RIP1183 for resisting multi-drug resistant staphylococcus infection 中国人民解放军第四军医大学 2021-02-09 — — CN disclosed
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