SCHEMBL30013446

SCHEMBL30013446

O=C(N1CC2(CC(n3cnc(C4CC4)n3)C2)C1)N1CC2(CCN(Cc3ccc(C(F)(F)F)nc3)C2)C1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 9/20 0.54
▸ KCNH2 Q12809 2/20 0.37
▸ GPR119 Q8TDV5 2/20 0.37
▸ USP2 O75604 4/20 0.36
▸ CYP3A4 P08684 4/20 0.36
▸ CYP2D6 P10635 4/20 0.36
▸ TSHR P16473 4/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PREP P48147 1/20 0.36
▸ PPARD Q03181 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ HIF1A Q16665 1/20 0.35

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
SCHEMBL27246243 1.00 MGLL (0.54) MGLLKCNH2GPR119USP2CYP3A4
SCHEMBL30013123 0.96 MGLL (0.55) MGLLKCNH2GPR119USP2CYP3A4
SCHEMBL27246255 0.88 MGLL (0.55) MGLLUSP2CYP3A4CYP2D6TSHR
SCHEMBL30720224 0.88 MGLL (0.55) MGLLUSP2CYP3A4CYP2D6TSHR
SCHEMBL30012082 0.87 MGLL (0.54) MGLLUSP2CYP3A4CYP2D6TSHR
SCHEMBL27246221 0.87 MGLL (0.54) MGLLUSP2CYP3A4CYP2D6TSHR
SCHEMBL27246300 0.84 MGLL (0.54) MGLLKCNH2GPR119USP2CYP3A4
SCHEMBL27246420 0.83 MGLL (0.41) MGLLKCNH2GPR119USP2CYP3A4
SCHEMBL30012893 0.83 MGLL (0.41) MGLLKCNH2GPR119USP2CYP3A4
SCHEMBL25326440 0.82 MGLL (0.40) MGLLKCNH2GPR119USP2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 — — CN claimed
EP-4326714-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-02-28 — — EP disclosed
CN-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 — — CN disclosed
WO-2022223750-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2022-10-27 — — WO disclosed
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