SCHEMBL25039643

SCHEMBL25039643

Cc1nc(N2CCC(C(F)(F)F)CC2)ccc1NCC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 3/20 0.41
▸ HRH4 Q9H3N8 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ PTGS2 P35354 2/20 0.34
▸ CD38 P28907 1/20 0.34
▸ MALT1 Q9UDY8 2/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ RBP4 P02753 1/20 0.34
▸ TTR P02766 1/20 0.34
▸ AOC1 P19801 1/20 0.33
▸ AOC3 Q16853 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ CHRM3 P20309 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
SCHEMBL30279264 0.89 TRPV3 (0.40) TRPV3HRH4KDM4EMAPTHTR3A
SCHEMBL25039467 0.89 TRPV3 (0.40) TRPV3HRH4KDM4EMAPTHTR3A
SCHEMBL25041785 0.84 HPGDS (0.39) HRH4HTR3AMEN1KMT2AGAA
SCHEMBL25039825 0.81 HRH4 (0.32) HRH4HTR3AMEN1KMT2APTGS2
SCHEMBL25041766 0.78 HSD11B1 (0.42) MAP4K4
SCHEMBL25042439 0.77 KDM4E (0.38) HRH4KDM4EMEN1KMT2AGAA
SCHEMBL25042256 0.77 MAPT (0.54) TRPV3KDM4EMAPTMEN1KMT2A
SCHEMBL25039287 0.76 TRPV3 (0.41) TRPV3HRH4KDM4EMAPTHTR3A
SCHEMBL30279005 0.76 TRPV3 (0.41) TRPV3HRH4KDM4EMAPTHTR3A
SCHEMBL31206186 0.76 CRHR1 (0.37) TRPV3KDM4EMAPTGAAPTGS2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023016447-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-02-16 — — WO disclosed
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