SCHEMBL29680130

SCHEMBL29680130

CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 1/20 0.56
▸ MAGI3 Q5TCQ9 1/20 0.53
▸ GHSR Q92847 2/20 0.51
▸ CASP1 P29466 1/20 0.50
▸ CASP3 P42574 1/20 0.50
▸ CASP4 P49662 1/20 0.50
▸ CASP5 P51878 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ CASP9 P55211 1/20 0.50
▸ CASP6 P55212 1/20 0.50
▸ CASP8 Q14790 1/20 0.50
▸ CASP10 Q92851 1/20 0.50
▸ NPBWR1 P48145 2/20 0.50
▸ CCKAR P32238 1/20 0.49
▸ CCKBR P32239 1/20 0.49
▸ OPRD1 P41143 1/20 0.49
▸ GLP1R P43220 2/20 0.48

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
SCHEMBL30512728 0.91 EDNRA (0.58) EDNRAMAGI3GHSRCASP1CASP3
SCHEMBL31556110 0.91 EDNRA (0.62) EDNRAMAGI3GLP1R
SCHEMBL30533191 0.90 EDNRA (0.61) EDNRAMAGI3GHSRCASP1CASP3
SCHEMBL29679623 0.89 GHSR (0.55) EDNRAGHSRCCKARCCKBROPRD1
SCHEMBL30512612 0.89 MAGI3 (0.65) MAGI3CASP1CASP3CASP4CASP5
SCHEMBL31714527 0.89 EDNRA (0.58) EDNRAMAGI3NPBWR1GLP1R
SCHEMBL30093076 0.88 EDNRA (0.58) EDNRAMAGI3GHSRNPBWR1
SCHEMBL29382549 0.88 EDNRA (0.60) EDNRAMAGI3GHSRGLP1R
SCHEMBL31561805 0.88 EDNRA (0.60) EDNRAMAGI3NPBWR1GLP1R
SCHEMBL29941186 0.87 EDNRA (0.64) EDNRAMAGI3GHSRCASP1CASP3

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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