SCHEMBL30700641

SCHEMBL30700641

O=C(N1CC[C@H](n2cnnn2)C1)N1CC2(CN(Cc3ccc(S(=O)(=O)C(F)(F)F)cc3)C2)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 1/20 0.38
▸ MGLL Q99685 1/20 0.36
▸ KCNH2 Q12809 7/20 0.34
▸ GPR119 Q8TDV5 7/20 0.34
▸ USP2 O75604 7/20 0.33
▸ CYP3A4 P08684 5/20 0.33
▸ CYP1A2 P05177 4/20 0.33
▸ CYP2C19 P33261 4/20 0.33
▸ CYP2C9 P11712 3/20 0.33
▸ CYP2D6 P10635 3/20 0.33
▸ TSHR P16473 3/20 0.33
▸ DPP4 P27487 1/20 0.32
▸ DPP8 Q6V1X1 1/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ CTSS P25774 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
SCHEMBL30700811 0.82 KCNH2 (0.33) MGLLKCNH2GPR119USP2CYP3A4
SCHEMBL30699870 0.76 MGLL (0.43) MGLLKCNH2GPR119
SCHEMBL30700087 0.76 MGLL (0.43) MGLLKCNH2GPR119
SCHEMBL30700279 0.75 ERAP1 (0.36) SMN1; SMN2
SCHEMBL27246314 0.75 MGLL (0.64) TEAD1MGLLUSP2CYP3A4CYP1A2
SCHEMBL27246331 0.74 MGLL (0.49) TEAD1MGLLUSP2CYP3A4CYP1A2
SCHEMBL25301235 0.73 USP2 (0.43) TEAD1MGLLUSP2CYP3A4CYP1A2
SCHEMBL25326080 0.73 MGLL (0.40) TEAD1MGLLKCNH2GPR119USP2
SCHEMBL30945251 0.72 MGLL (0.48) TEAD1MGLLUSP2CYP3A4CYP1A2
SCHEMBL30700189 0.72 EPHX2 (0.42) DPP4

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-2023247670-A1 NEW HETEROCYCLIC-CARBONYL-CYCLIC COMPOUNDS AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-12-28 — — WO disclosed
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