SCHEMBL31307995

SCHEMBL31307995

O=CN1CC2(CCC(Oc3ccc(C(F)(F)F)nn3)CC2)C1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 3/20 0.35
▸ HCRTR1 O43613 2/20 0.35
▸ SLC6A2 P23975 6/20 0.31
▸ SLC6A4 P31645 6/20 0.31
▸ SLC6A3 Q01959 6/20 0.31
▸ PTGS1 P23219 5/20 0.31
▸ LOXL2 Q9Y4K0 3/20 0.31

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
SCHEMBL25253196 0.83 LOXL2 (0.38) HCRTR2HCRTR1LOXL2
SCHEMBL29277452 0.82 HCRTR2 (0.40) HCRTR2HCRTR1SLC6A2SLC6A4SLC6A3
SCHEMBL31308005 0.81 HCRTR1 (0.37) HCRTR2HCRTR1
SCHEMBL25145643 0.80 HCRTR2 (0.33) HCRTR2HCRTR1SLC6A2SLC6A4SLC6A3
SCHEMBL30396039 0.80 HCRTR2 (0.33) HCRTR2HCRTR1SLC6A2SLC6A4SLC6A3
SCHEMBL31307990 0.80 LOXL2 (0.34) LOXL2
SCHEMBL30395753 0.79 GPR119 (0.48) LOXL2
SCHEMBL25298984 0.79 GPR119 (0.48) LOXL2
SCHEMBL30503585 0.78 TTR (0.34) HCRTR2HCRTR1
SCHEMBL30503582 0.78 MBOAT4 (0.36) PTGS1

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
CN-119301113-A Novel heterocyclic carbonyl cyclic compounds as MAGL inhibitors 豪夫迈·罗氏有限公司 2025-01-10 — — CN claimed
CN-119301113-A Novel heterocyclic carbonyl cyclic compounds as MAGL inhibitors 豪夫迈·罗氏有限公司 2025-01-10 — — CN disclosed
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