SCHEMBL29679564

SCHEMBL29679564

NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 5/20 0.42
▸ CALCRL Q16602 3/20 0.41
▸ RAMP1 O60894 1/20 0.41
▸ OPRD1 P41143 4/20 0.40
▸ CAPN1 P07384 2/20 0.39
▸ ITGB1 P05556 1/20 0.38
▸ ITGA5 P08648 1/20 0.38
▸ PSMB9 P28065 1/20 0.37
▸ EPHA2 P29317 2/20 0.36
▸ PREP P48147 1/20 0.35

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
SCHEMBL30138993 0.95 OPRM1 (0.42) OPRM1CALCRLRAMP1OPRD1CAPN1
SCHEMBL29680076 0.91 OPRM1 (0.45) OPRM1CALCRLRAMP1OPRD1CAPN1
SCHEMBL30028652 0.91 ITGB1 (0.43) OPRM1OPRD1CAPN1ITGB1ITGA5
SCHEMBL29763113 0.89 CAPN1 (0.41) OPRM1CALCRLOPRD1CAPN1PSMB9
SCHEMBL30139053 0.85 CAPN1 (0.42) OPRM1OPRD1CAPN1ITGB1ITGA5
SCHEMBL31347336 0.85 CAPN1 (0.42) OPRM1OPRD1CAPN1PSMB9PREP
SCHEMBL29832504 0.85 CALCRL (0.41) OPRM1CALCRLRAMP1ITGB1PREP
SCHEMBL31751644 0.84 OPRM1 (0.43) OPRM1CALCRLRAMP1OPRD1CAPN1
SCHEMBL30186408 0.83 ACE (0.38) OPRM1CALCRLOPRD1PREP
SCHEMBL30139026 0.82 OPRM1 (0.46) OPRM1CALCRLRAMP1OPRD1CAPN1

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
WO-2022069704-A2 IMMUNODIAGNOSTIC AGENTS AND METHODS FOR THE DETECTION AND DIFFERENTIATION OF CORONAVIRUS INFECTIONS INSTITUT FÜR MOLEKULARE DIAGNOSTIK UND BIOANALYTIK (IMDB) GGMBH (DE) 2022-04-07 — — WO disclosed
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