SCHEMBL31332738

SCHEMBL31332738

N#Cc1cccc(C2(CN)CCC(=O)O2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
BACE1 P56817 5/20 0.37
ABCC9 O60706 1/20 0.36
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
KCNJ8 Q15842 1/20 0.36
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
NSD2 O96028 1/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
PRKACA P17612 1/20 0.33
PRKACG P22612 1/20 0.33
PRKACB P22694 1/20 0.33
PGR P06401 3/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL31332723 0.82 SLC6A4 (0.49) HSD11B1SLC6A2SLC6A4
SCHEMBL31332763 0.79 ICMT (0.42) HSD11B1BACE1SLC6A2SLC6A4PRKACA
SCHEMBL31332753 0.79 ICMT (0.42) HSD11B1BACE1SLC6A2SLC6A4PRKACA
SCHEMBL31332878 0.73 TSHR (0.52) HSD11B1SLC6A2SLC6A4
SCHEMBL31332759 0.72 DGAT2 (0.46) HSD11B1MAOAMAOB
SCHEMBL31332798 0.69 PRKACA (0.45) HSD11B1BACE1SLC6A2SLC6A4PRKACA
SCHEMBL31332697 0.69 HSD11B1 (0.40) HSD11B1SLC6A2SLC6A4
SCHEMBL23231697 0.67 HSD11B1 (0.41) HSD11B1BACE1SLC6A2SLC6A4
SCHEMBL612068 0.66 HSD11B1 (0.42) HSD11B1BACE1ABCC9ABCC8KCNJ11
SCHEMBL21452474 0.66 ABCC9 (0.40) HSD11B1BACE1ABCC9ABCC8KCNJ11

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
EP-4709708-A1 NOVEL CARBOXAMIDE DERIVATIVES ANGELINI PHARMA S.P.A. (IT) 2026-03-18 EP disclosed
WO-2024233603-A1 NOVEL CARBOXAMIDE DERIVATIVES ICAGEN, LLC (US) 2024-11-14 WO disclosed