SCHEMBL31332729

SCHEMBL31332729

COC(C)(CNC(=O)C1CC1c1ccccc1F)c1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ITGB2 P05107 3/20 0.35
ICAM1 P05362 3/20 0.35
ITGAL P20701 3/20 0.35
LMNA P02545 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.34
RXFP1 Q9HBX9 1/20 0.33
MCHR1 Q99705 1/20 0.33
MC1R Q01726 1/20 0.33
TRPM5 Q9NZQ8 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
SCHEMBL31332854 0.86 SIGMAR1 (0.53) SIGMAR1MEN1KMT2ALMNATRPM5
SCHEMBL31332891 0.84 SIGMAR1 (0.45) SIGMAR1MEN1KMT2ALMNA
SCHEMBL31332805 0.79 NAMPT (0.53) SIGMAR1TRPM5
SCHEMBL31332790 0.79 TAAR1 (0.37) RXFP1
SCHEMBL31332732 0.77 TAAR1 (0.39) RXFP1
SCHEMBL31332624 0.77 TAAR1 (0.39) RXFP1
SCHEMBL31332850 0.74 HPGD (0.42) MEN1KMT2AITGB2ICAM1ITGAL
SCHEMBL31332799 0.73 POLB (0.53) MEN1KMT2A
SCHEMBL5679519 0.73 KDM1A (0.41) SIGMAR1MEN1KMT2APTGDR2
SCHEMBL15797852 0.73 KDM1A (0.41) SIGMAR1MEN1KMT2APTGDR2

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