SCHEMBL31332724

SCHEMBL31332724

N#Cc1cccc([C@]2(CNC(=O)[C@H]3C[C@@H]3C(F)(F)F)CCO2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
ICMT O60725 1/20 0.37
CCR2 P41597 1/20 0.36
KCNH2 Q12809 1/20 0.36
BACE1 P56817 2/20 0.34
GRIN2B Q13224 1/20 0.34
MCHR1 Q99705 8/20 0.33
TRPA1 O75762 1/20 0.33
NAMPT P43490 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 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
SCHEMBL31332869 0.93 HSD11B1 (0.38) HSD11B1ICMTCCR2KCNH2BACE1
SCHEMBL31332694 0.91 HSD11B1 (0.39) HSD11B1ICMTCCR2KCNH2BACE1
SCHEMBL31332837 0.85 HSD11B1 (0.39) HSD11B1ICMTBACE1GRIN2BMCHR1
SCHEMBL31332643 0.84 HSD11B1 (0.41) HSD11B1ICMTCCR2KCNH2GRIN2B
SCHEMBL31332651 0.84 DGAT2 (0.48) HSD11B1GRIN2B
SCHEMBL31332744 0.84 DGAT2 (0.48) HSD11B1GRIN2B
SCHEMBL31332714 0.84 HSD11B1 (0.37) HSD11B1ICMTGRIN2BMCHR1
SCHEMBL31332702 0.84 DGAT2 (0.41) HSD11B1GRIN2BMCHR1
SCHEMBL31332803 0.83 HSD11B1 (0.38) HSD11B1ICMTGRIN2BMCHR1
SCHEMBL31332781 0.83 HSD11B1 (0.38) HSD11B1ICMTBACE1GRIN2BMCHR1

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