SCHEMBL31599298

SCHEMBL31599298

CC(C)(C)OC(=O)N1CCN(CCc2ccc(C(F)(F)F)cc2)C[C@H]1COC(F)F

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
KCNH2 Q12809 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
HSD11B1 P28845 5/20 0.38
TACR1 P25103 6/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
RORC P51449 1/20 0.36

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
SCHEMBL31599275 0.90 L3MBTL1 (0.43) MAPTNR1H2NR1H3TACR1L3MBTL1
SCHEMBL28622444 0.87 KCNH2 (0.40) KCNH2HSD11B1
SCHEMBL31599278 0.80 NR1H3 (0.41) MAPTNR1H2NR1H3TACR1
SCHEMBL31599268 0.79 LMNA (0.45) MAPTNR1H2NR1H3TACR1L3MBTL1
SCHEMBL31599262 0.79 POLB (0.38) NR1H2NR1H3TACR1
SCHEMBL28624276 0.77 LMNA (0.49) TACR1L3MBTL1RORC
SCHEMBL5363568 0.76 NR1H2 (0.43) MAPTNR1H2NR1H3RORC
SCHEMBL5363572 0.76 NR1H2 (0.43) MAPTNR1H2NR1H3RORC
SCHEMBL31599294 0.75 TACR1 (0.42) MAPTNR1H2NR1H3TACR1RORC
SCHEMBL30075118 0.75 TACR1 (0.42) MAPTNR1H2NR1H3TACR1RORC

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
CN-113072546-B Five-membered heteroaromatic derivative and preparation method and application thereof 广东东阳光药业股份有限公司 2025-05-30 CN disclosed