SCHEMBL31469780

SCHEMBL31469780

FC(F)(F)CC(Br)c1ccc(Cl)cn1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 4/20 0.32
S1PR1 P21453 1/20 0.32
CETP P11597 1/20 0.32
TRPA1 O75762 1/20 0.31
S1PR2 O95136 2/20 0.30
S1PR4 O95977 2/20 0.30
CYP19A1 P11511 1/20 0.30

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
SCHEMBL31469811 0.79 CETP (0.36) S1PR3S1PR1CETPTRPA1S1PR2
SCHEMBL31469746 0.77 ESR1 (0.38) S1PR3S1PR1
SCHEMBL1791801 0.70 FDPS (0.37) S1PR3S1PR1S1PR2S1PR4
SCHEMBL30328253 0.70 FDPS (0.37) S1PR3S1PR1S1PR2S1PR4
SCHEMBL16011597 0.69 S1PR3 (0.37) S1PR3S1PR1S1PR2S1PR4
SCHEMBL10968724 0.69 S1PR3 (0.38) S1PR3S1PR1S1PR2S1PR4
Hydrochloric Acid SCHEMBL22713217 0.68 ADRA2A (0.37) S1PR3S1PR1S1PR2S1PR4CYP19A1
Hydrochloric Acid SCHEMBL22713215 0.68 ADRA2A (0.37) S1PR3S1PR1S1PR2S1PR4CYP19A1
SCHEMBL31469743 0.68 DRD2 (0.39) TRPA1
SCHEMBL13859277 0.66 L3MBTL1 (0.35) S1PR3S1PR1S1PR2S1PR4

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-2025030002-A2 DGK TARGETING COMPOUNDS AND USES THEREOF ARVINAS OPERATIONS, INC. (US) 2025-02-06 WO disclosed