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SCHEMBL29680146

SCHEMBL29680146

CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.48
▸ MAPK9 P45984 1/20 0.48
▸ MAPK10 P53779 1/20 0.48
▸ VIPR2 P41587 8/20 0.46
▸ VIPR1 P32241 6/20 0.45
▸ NPY4R P50391 2/20 0.42
▸ KISS1R Q969F8 2/20 0.41
▸ ENPEP Q07075 5/20 0.41

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
SCHEMBL29679695 1.00 MAPK8 (0.48) MAPK8MAPK9MAPK10VIPR2VIPR1
SCHEMBL29679680 0.98 MAPK8 (0.48) MAPK8MAPK9MAPK10VIPR2VIPR1
SCHEMBL29680176 0.98 MAPK8 (0.49) MAPK8MAPK9MAPK10VIPR2VIPR1
SCHEMBL29679830 0.95 MAPK8 (0.46) MAPK8MAPK9MAPK10VIPR2VIPR1
SCHEMBL29679884 0.95 MAPK8 (0.43) MAPK8MAPK9MAPK10VIPR2VIPR1
SCHEMBL30483686 0.87 VIPR2 (0.48) MAPK8MAPK9MAPK10VIPR2VIPR1
SCHEMBL29430145 0.86 NPY4R (0.45) NPY4RENPEP
SCHEMBL29973033 0.85 NPY4R (0.50) MAPK8MAPK9MAPK10NPY4RKISS1R
SCHEMBL30085019 0.85 NPY4R (0.43) MAPK8MAPK9MAPK10VIPR2VIPR1
SCHEMBL29679715 0.84 BACE1 (0.41) MAPK8MAPK9MAPK10VIPR2NPY4R

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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