SCHEMBL29277452

SCHEMBL29277452

O=CN1CC(Oc2ccc(C(F)(F)F)nn2)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 3/20 0.40
▸ HCRTR1 O43613 2/20 0.40
▸ IL1B P01584 1/20 0.32
▸ NLRP3 Q96P20 1/20 0.32
▸ ACACB O00763 1/20 0.32
▸ SLC6A2 P23975 2/20 0.30
▸ SLC6A4 P31645 2/20 0.30
▸ SLC6A3 Q01959 2/20 0.30
▸ ALOX5AP P20292 1/20 0.30
▸ FEN1 P39748 1/20 0.30
▸ TACR1 P25103 1/20 0.30
▸ PTGS1 P23219 2/20 0.30

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
SCHEMBL31307995 0.82 HCRTR2 (0.35) HCRTR2HCRTR1SLC6A2SLC6A4SLC6A3
SCHEMBL29277456 0.77 SLC6A9 (0.39) HCRTR2HCRTR1ACACBALOX5APFEN1
SCHEMBL29277434 0.76 LIPE (0.47) ACACB
SCHEMBL29277464 0.76 LOXL2 (0.31) —
SCHEMBL31532572 0.74 SLC6A4 (0.38) HCRTR2HCRTR1SLC6A2SLC6A4SLC6A3
SCHEMBL28358308 0.73 HCRTR1 (0.53) HCRTR2HCRTR1
SCHEMBL29277466 0.72 MALT1 (0.43) ACACBALOX5APFEN1
SCHEMBL29277439 0.72 ACACB (0.39) HCRTR2HCRTR1ACACBALOX5APFEN1
SCHEMBL21607008 0.72 HRH1 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL28613739 0.71 HCRTR1 (0.38) HCRTR2HCRTR1

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-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-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 — — 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
CN-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 — — CN disclosed
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