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SCHEMBL29679773

SCHEMBL29679773

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 9/20 0.64
▸ OPRM1 P35372 3/20 0.60
▸ GLP1R P43220 1/20 0.57
▸ GCGR P47871 1/20 0.57
▸ GIPR P48546 1/20 0.57
▸ CRHR1 P34998 1/20 0.57
▸ CRHR2 Q13324 1/20 0.57
▸ CALCR P30988 1/20 0.56

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
SCHEMBL29679964 0.93 OPRD1 (0.64) OPRD1OPRM1
SCHEMBL30712927 0.88 NPY2R (0.59) OPRD1GLP1RGCGRGIPRCRHR1
SCHEMBL29679968 0.88 OPRD1 (0.56) OPRD1GLP1RGCGRGIPRCRHR1
SCHEMBL31575688 0.88 CALCR (0.62) OPRD1OPRM1CRHR1CRHR2CALCR
SCHEMBL29558121 0.87 OPRD1 (0.65) OPRD1OPRM1
SCHEMBL31020752 0.87 NPY2R (0.64) CALCR
SCHEMBL29797140 0.86 CALCR (0.66) OPRD1CRHR1CRHR2CALCR
SCHEMBL29728182 0.86 OPRD1 (0.64) OPRD1OPRM1GLP1RGCGRGIPR
SCHEMBL31182450 0.86 NPY2R (0.66) CALCR
SCHEMBL30726589 0.86 CRHR1 (0.57) OPRD1OPRM1GLP1RGIPRCRHR1

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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