SCHEMBL25041785

SCHEMBL25041785

Cc1nc(N2CCN(CC(F)(F)F)CC2)ccc1NCC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.39
▸ DRD2 P14416 2/20 0.36
▸ DRD3 P35462 2/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP4 P49662 1/20 0.36
▸ CASP5 P51878 1/20 0.36
▸ HRH4 Q9H3N8 2/20 0.34
▸ HTR3A P46098 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ PTGS2 P35354 2/20 0.33
▸ CD38 P28907 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.32
▸ AOC1 P19801 1/20 0.32
▸ AOC3 Q16853 1/20 0.32

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
SCHEMBL25039643 0.84 TRPV3 (0.41) HRH4HTR3AMEN1KMT2APTGS2
SCHEMBL25039825 0.79 HRH4 (0.32) HRH4HTR3AMEN1KMT2APTGS2
SCHEMBL25041766 0.76 HSD11B1 (0.42) —
SCHEMBL25042311 0.76 HPGDS (0.37) HPGDSDRD2DRD3HRH4
SCHEMBL25042439 0.75 KDM4E (0.38) HRH4MEN1KMT2ATSHRCD38
SCHEMBL25042126 0.74 HPGDS (0.36) HPGDSDRD2DRD3
SCHEMBL25042115 0.74 MEN1 (0.38) HRH4HTR3AMEN1KMT2ACD38
SCHEMBL25039467 0.74 TRPV3 (0.40) HRH4HTR3AMEN1KMT2AALOX15
SCHEMBL30279264 0.74 TRPV3 (0.40) HRH4HTR3AMEN1KMT2AALOX15
SCHEMBL25042133 0.74 KDM4E (0.35) HRH4MEN1KMT2ATSHRCD38

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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