SCHEMBL29679872

SCHEMBL29679872

N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 6/20 0.52
▸ OPRM1 P35372 5/20 0.52
▸ OPRK1 P41145 2/20 0.52
▸ MME P08473 3/20 0.50
▸ MMP1 P03956 1/20 0.48
▸ FCER2 P06734 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ ACE P12821 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47

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
SCHEMBL27906371 0.95 MME (0.51) OPRD1OPRM1OPRK1MMEMMP1
SCHEMBL14691645 0.95 MME (0.51) OPRD1OPRM1OPRK1MMEMMP1
SCHEMBL31170898 0.94 OPRD1 (0.53) OPRD1OPRM1OPRK1MMEALDH1A1
SCHEMBL31170899 0.94 OPRD1 (0.53) OPRD1OPRM1OPRK1MMEALDH1A1
SCHEMBL29590571 0.93 OPRD1 (0.50) OPRD1OPRM1OPRK1MMEMMP1
SCHEMBL30051754 0.93 OPRD1 (0.59) OPRD1OPRM1OPRK1MME
SCHEMBL30834728 0.88 MME (0.52) OPRD1OPRM1OPRK1MMEMMP1
SCHEMBL29350735 0.87 OPRD1 (0.58) OPRD1OPRM1OPRK1MMEALDH1A1
SCHEMBL30930049 0.87 OPRD1 (0.63) OPRD1OPRM1OPRK1
SCHEMBL29662320 0.86 OPRD1 (0.48) OPRD1OPRM1OPRK1MMEALDH1A1

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 2 patents. 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 claimed
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
Send feedback