SCHEMBL30753761

SCHEMBL30753761

C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 6/20 0.61
▸ OPRM1 P35372 4/20 0.61
▸ CALCR P30988 4/20 0.55
▸ NMUR2 Q9GZQ4 2/20 0.54
▸ NMUR1 Q9HB89 2/20 0.54

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
SCHEMBL30233254 0.99 OPRD1 (0.61) OPRD1OPRM1CALCRNMUR2NMUR1
SCHEMBL30233475 0.97 OPRD1 (0.59) OPRD1OPRM1CALCRNMUR2NMUR1
SCHEMBL30753759 0.93 NMUR2 (0.62) OPRD1OPRM1CALCRNMUR2NMUR1
SCHEMBL30233411 0.93 CALCR (0.63) OPRD1OPRM1CALCR
SCHEMBL30753756 0.92 NMUR2 (0.61) OPRD1OPRM1CALCRNMUR2NMUR1
SCHEMBL30788346 0.91 TFPI (0.56) OPRD1OPRM1NMUR2NMUR1
SCHEMBL30233484 0.91 NPY1R (0.57) OPRD1OPRM1CALCRNMUR2NMUR1
SCHEMBL30788354 0.90 TFPI (0.55) OPRD1OPRM1NMUR2NMUR1
SCHEMBL30753755 0.90 CALCR (0.62) OPRD1OPRM1CALCR
SCHEMBL30233460 0.89 CALCR (0.59) OPRD1OPRM1CALCR

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
US-20240041740-A1 SKIN PEEL COMPOSITIONS GLO PHARMA INC (US) 2024-02-08 — — US disclosed
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