SCHEMBL31549823

SCHEMBL31549823

O=C(N1CC(OCc2ccc(C(F)(F)F)cc2F)C1)N1CC2(CCS(=O)(=O)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 5/20 0.43
▸ ATXN2 Q99700 5/20 0.43
▸ MGLL Q99685 3/20 0.41
▸ IDO1 P14902 1/20 0.37
▸ FFAR1 O14842 1/20 0.35
▸ NAAA Q02083 1/20 0.35
▸ LIPG Q9Y5X9 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ FAAH O00519 2/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ PRKX P51817 1/20 0.33
▸ IKBKE Q14164 1/20 0.33
▸ S1PR5 Q9H228 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
SCHEMBL31549816 0.90 MGLL (0.42) ENPP2ATXN2MGLLIDO1FFAR1
SCHEMBL31549787 0.85 MGLL (0.43) ENPP2ATXN2MGLLIDO1FFAR1
SCHEMBL20695464 0.80 MGLL (0.47) ENPP2ATXN2MGLLIDO1CYP11B1
SCHEMBL25324545 0.79 ENPP2 (0.41) ENPP2ATXN2MGLLIDO1LIPG
SCHEMBL19411886 0.78 IDO1 (0.48) ENPP2ATXN2MGLLIDO1FFAR1
SCHEMBL30553308 0.77 ENPP2 (0.39) ENPP2ATXN2MGLLIDO1FFAR1
SCHEMBL30700056 0.77 MGLL (0.41) MGLLIDO1FFAR1NAAALIPG
SCHEMBL27246316 0.76 ENPP2 (0.38) ENPP2ATXN2MGLLIDO1LIPG
SCHEMBL23850577 0.76 ENPP2 (0.43) ENPP2ATXN2MGLLIDO1FFAR1
SCHEMBL30700038 0.76 MGLL (0.44) ENPP2ATXN2MGLLIDO1LIPG

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-2025068347-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2025-04-03 — — WO disclosed
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