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SCHEMBL29679673

SCHEMBL29679673

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.51
▸ GRIN3B O60391 1/20 0.51
▸ GRIN1 Q05586 1/20 0.51
▸ GRIN2A Q12879 1/20 0.51
▸ GRIN2B Q13224 1/20 0.51
▸ GRIN2C Q14957 1/20 0.51
▸ GRIN3A Q8TCU5 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.47
▸ VIPR2 P41587 3/20 0.47
▸ GLP1R P43220 4/20 0.46
▸ VIPR1 P32241 2/20 0.45
▸ TFPI P10646 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
SCHEMBL29679957 0.99 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29694507 0.88 VIPR2 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29624007 0.87 VIPR2 (0.52) RXFP1VIPR2GLP1RVIPR1TFPI
SCHEMBL30262156 0.87 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30495641 0.87 TFPI (0.53) VIPR1TFPI
SCHEMBL29618247 0.87 BACE1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12696379 0.86 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30512778 0.86 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30259189 0.86 BACE1 (0.48) RXFP1VIPR2GLP1R
SCHEMBL30277902 0.86 GLP1R (0.49) RXFP1VIPR2GLP1RTFPI

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