SCHEMBL29679605

SCHEMBL29679605

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

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.52
▸ OPRD1 P41143 9/20 0.47
▸ OPRM1 P35372 4/20 0.47
▸ CHRNA1 P02708 1/20 0.46
▸ CHRNG P07510 1/20 0.46
▸ CHRNB1 P11230 1/20 0.46
▸ CHRND Q07001 1/20 0.46
▸ CCKAR P32238 3/20 0.45
▸ CCKBR P32239 3/20 0.45
▸ CALCRL Q16602 1/20 0.45
▸ OPRK1 P41145 2/20 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
SCHEMBL29424183 0.91 MMP2 (0.61) MMP2OPRD1OPRM1CHRNA1CHRNG
SCHEMBL29592310 0.91 MMP2 (0.51) MMP2OPRD1OPRM1CHRNA1CHRNG
SCHEMBL30434967 0.90 MMP2 (0.51) MMP2OPRD1OPRM1CALCRLOPRK1
SCHEMBL29630646 0.88 MMP2 (0.56) MMP2OPRD1OPRM1CHRNA1CHRNG
SCHEMBL30609954 0.87 MMP2 (0.55) MMP2OPRD1OPRM1CHRNA1CHRNG
SCHEMBL30609948 0.87 MMP2 (0.55) MMP2OPRD1OPRM1CHRNA1CHRNG
SCHEMBL30478748 0.87 MMP2 (0.55) MMP2CHRNA1CHRNGCHRNB1CHRND
SCHEMBL30118074 0.87 MMP2 (0.56) MMP2OPRK1
SCHEMBL31018950 0.85 MMP2 (0.57) MMP2
SCHEMBL31167399 0.85 MMP2 (0.57) MMP2OPRK1

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
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