SCHEMBL31332598

SCHEMBL31332598

N#Cc1cccc([C@@H]2CCO2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.51
DRD3 P35462 9/20 0.51
CYP19A1 P11511 1/20 0.45
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
CASP1 P29466 1/20 0.43
PRKACA P17612 1/20 0.42
PRKACG P22612 1/20 0.42
PRKACB P22694 1/20 0.42
ENPP2 Q13822 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LDHA P00338 1/20 0.41
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
KCNJ8 Q15842 1/20 0.40

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
SCHEMBL4699085 0.92 DRD2 (0.51) DRD2DRD3CYP19A1CYP2D6TSHR
SCHEMBL4697009 0.90 DRD2 (0.50) DRD2DRD3CYP19A1CYP2D6TSHR
SCHEMBL16412900 0.85 DRD2 (0.50) DRD2DRD3CYP19A1CYP2D6TSHR
SCHEMBL4378996 0.85 DRD2 (0.50) DRD2DRD3CYP19A1CYP2D6TSHR
SCHEMBL6540021 0.85 DRD2 (0.50) DRD2DRD3CYP19A1CYP2D6TSHR
SCHEMBL29813085 0.85 DRD2 (0.50) DRD2DRD3CYP19A1CYP2D6TSHR
SCHEMBL4698144 0.83 DRD2 (0.43) DRD2DRD3CYP19A1CYP2D6TSHR
SCHEMBL23472129 0.82 DRD2 (0.64) DRD2DRD3PRKACAPRKACGPRKACB
SCHEMBL2773273 0.80 DRD2 (0.49) DRD2DRD3CYP19A1CYP2D6TSHR
SCHEMBL4697941 0.78 DRD2 (0.44) DRD2DRD3CYP19A1CYP2D6TSHR

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