SCHEMBL31549778

SCHEMBL31549778

O=C(N1CC2(CCC(Cc3ccc(C(F)(F)F)cn3)CC2)C1)N1CC2(C1)CS(=O)(=O)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.37
▸ HCRTR1 O43613 2/20 0.36
▸ LIPE Q05469 2/20 0.36
▸ FFAR4 Q5NUL3 4/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ ADAM10 O14672 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ MMP7 P09237 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ MMP12 P39900 1/20 0.35
▸ MMP14 P50281 1/20 0.35
▸ ADAM17 P78536 1/20 0.35
▸ ADAM9 Q13443 1/20 0.35
▸ ADAM33 Q9BZ11 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ABL1 P00519 1/20 0.34

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
SCHEMBL31549755 0.90 MGLL (0.40) CNR2HCRTR1LIPEEPHX2ADAM10
SCHEMBL25253670 0.86 FFAR4 (0.41) HCRTR1LIPEFFAR4EPHX2SYK
SCHEMBL31549792 0.85 HCRTR1 (0.34) HCRTR1LIPEFFAR4EPHX2SYK
SCHEMBL30409370 0.82 MGLL (0.43) HCRTR1LIPEFFAR4EPHX2KDM4E
SCHEMBL25145892 0.82 MGLL (0.43) HCRTR1LIPEFFAR4EPHX2KDM4E
SCHEMBL30700517 0.82 KDM4E (0.47) LIPEFFAR4EPHX2SYKKDM4E
SCHEMBL25146317 0.81 MGLL (0.37) HCRTR1LIPEFFAR4EPHX2SYK
SCHEMBL25324506 0.81 MGLL (0.40) HCRTR1LIPEFFAR4EPHX2ADAM10
SCHEMBL30408522 0.81 MGLL (0.37) HCRTR1LIPEFFAR4EPHX2SYK
SCHEMBL25302142 0.81 EIF2AK4 (0.42) LIPEFFAR4EPHX2

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