SCHEMBL30700687

SCHEMBL30700687

CN(Cc1ccc(C(F)(F)F)cc1F)C1CN(C(=O)N2CC[C@H](n3cnnc3)C2)C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 8/20 0.43
▸ MGLL Q99685 1/20 0.42
▸ SLC6A4 P31645 2/20 0.42
▸ PDK2 Q15119 2/20 0.39
▸ RORC P51449 2/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ FAAH O00519 2/20 0.38
▸ HTR2A P28223 2/20 0.37

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
SCHEMBL30700165 0.88 MCHR1 (0.41) MCHR1MGLLSLC6A4PDK2RORC
SCHEMBL30700163 0.87 MGLL (0.42) MCHR1MGLLSLC6A4PDK2RORC
SCHEMBL30700153 0.83 MGLL (0.44) MGLLFAAH
SCHEMBL30700507 0.83 MGLL (0.44) MGLLFAAH
SCHEMBL30699948 0.83 MGLL (0.43) MCHR1MGLLRORC
SCHEMBL25262695 0.78 SLC6A4 (0.50) MGLLSLC6A4PDK2RORCSLC6A2
SCHEMBL30700077 0.77 MGLL (0.38) MCHR1MGLLRORC
SCHEMBL30700669 0.75 MGLL (0.41) MCHR1MGLLSLC6A4RORCSLC6A2
SCHEMBL25259349 0.74 TACR1 (0.47) SLC6A4PDK2RORCSLC6A2SLC6A3
SCHEMBL30700090 0.73 MGLL (0.41) MGLLFAAH

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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