SCHEMBL29679828

SCHEMBL29679828

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.52
▸ NTSR2 O95665 3/20 0.50
▸ NTSR1 P30989 3/20 0.50
▸ MAGI3 Q5TCQ9 1/20 0.46
▸ SORT1 Q99523 2/20 0.46
▸ VIPR2 P41587 5/20 0.46
▸ VIPR1 P32241 3/20 0.46
▸ ANPEP P15144 1/20 0.45
▸ LNPEP Q9UIQ6 1/20 0.45
▸ OPRM1 P35372 1/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ IL23R Q5VWK5 1/20 0.44

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
SCHEMBL30798736 0.93 F2 (0.53) F2NTSR2NTSR1SORT1VIPR2
SCHEMBL30782799 0.86 VIPR2 (0.54) F2VIPR2VIPR1IL23R
SCHEMBL30741250 0.86 VIPR2 (0.56) F2VIPR2VIPR1
SCHEMBL30558191 0.85 F2 (0.52) F2NTSR2NTSR1SORT1ANPEP
SCHEMBL16847714 0.85 F2 (0.49) F2NTSR2NTSR1SORT1ANPEP
SCHEMBL30784851 0.85 BACE1 (0.51) F2NTSR2NTSR1VIPR2VIPR1
SCHEMBL29462368 0.85 VIPR2 (0.50) F2NTSR2NTSR1VIPR2VIPR1
SCHEMBL38658848 0.84 NTSR2 (0.56) F2NTSR2NTSR1SORT1VIPR2
SCHEMBL30092917 0.84 NPY4R (0.56) F2NTSR2NTSR1
SCHEMBL8894047 0.84 VIPR2 (0.52) F2VIPR2VIPR1OPRD1IL23R

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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