SCHEMBL12201006

SCHEMBL12201006

CCNC(=O)C(Cc1ccc(O)cc1)NC(=O)CCc1ccc(O)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRND Q07001 6/20 0.59
CHRNA1 P02708 2/20 0.59
CHRNG P07510 2/20 0.59
CHRNB1 P11230 2/20 0.59
GRIA1 P42261 8/20 0.58
CHRNB2 P17787 1/20 0.56
CHRNB4 P30926 1/20 0.56
CHRNA3 P32297 1/20 0.56
CHRNA4 P43681 1/20 0.56
GRIN1 Q05586 1/20 0.56
GRIN2A Q12879 1/20 0.56
GRM1 Q13255 1/20 0.56

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
SCHEMBL13827705 0.87 GRIA1 (0.65) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL4147882 0.84 NAALAD2 (0.61) GRIA1
SCHEMBL4147877 0.84 NAALAD2 (0.61) GRIA1
SCHEMBL5007773 0.83 GRIA1 (0.62) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL5009890 0.83 GRIA1 (0.62) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL30081065 0.81 ACE (0.56) GRIA1
SCHEMBL29352083 0.81 ALDH1A1 (0.50) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL21466071 0.81 ALDH1A1 (0.50) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL30081063 0.81 ACE (0.56) GRIA1
SCHEMBL4152603 0.81 MDM4 (0.62)

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
US-8034365-B2 Polymer substituted with amide or thioamide groups; vascular stents, bioreabsorbable polymers REVA MEDICAL, INC. (US) 2011-10-11 US disclosed
US-20080112999-A1 N-SUBSTITUTED MONOMERS AND POLYMERS REVA MEDICAL, INC. (US) 2008-05-15 US disclosed