SCHEMBL5177691

SCHEMBL5177691

NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(N)=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRND Q07001 7/20 0.53
▸ CHRNA1 P02708 3/20 0.53
▸ CHRNG P07510 3/20 0.53
▸ CHRNB1 P11230 3/20 0.53
▸ GRIA1 P42261 8/20 0.52
▸ CHRNB2 P17787 1/20 0.50
▸ CHRNB4 P30926 1/20 0.50
▸ CHRNA3 P32297 1/20 0.50
▸ CHRNA4 P43681 1/20 0.50
▸ GRIN1 Q05586 1/20 0.50
▸ GRIN2A Q12879 1/20 0.50
▸ GRM1 Q13255 1/20 0.50

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
SCHEMBL3952781 0.89 CHRND (0.55) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL7586744 0.89 CHRND (0.55) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL26179142 0.89 CHRND (0.54) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL5177591 0.88 CTSS (0.53) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL26605054 0.88 CTSS (0.53) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL15839930 0.87 OPRD1 (0.54) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL29630355 0.86 CHRND (0.47) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL30493746 0.85 GRIA1 (0.61) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL29707530 0.84 CHRND (0.47) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL30468670 0.84 CHRND (0.47) CHRNDCHRNA1CHRNGCHRNB1GRIA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037249-A1 Molecules that block viral infectivity and methods of use thereof GOOBAR-LARSSON LAURA 2007-02-15 — — US disclosed
US-7012129-B2 Antiviral composition comprising glycine amide TRIPEP AB (SE) 2006-03-14 — — US disclosed
EP-1436317-A1 MOLECULES THAT BLOCK VIRAL INFECTIVITY AND METHODS OF USE THEREOF TRIPEP AB (SE) 2004-07-14 — — EP disclosed
WO-2003024995-A1 MOLECULES THAT BLOCK VIRAL INFECTIVITY AND METHODS OF USE THEREOF TRIPEP AB (SE) 2003-03-27 — — WO disclosed
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