SCHEMBL28628239

SCHEMBL28628239

CNc1ccc(OC2CCC2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.42
POLB P06746 1/20 0.41
PDE4D Q08499 3/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
P2RX3 P56373 4/20 0.39
RORC P51449 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
FABP4 P15090 2/20 0.37
FABP5 Q01469 2/20 0.37
GPR6 P46095 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
SCHEMBL14471666 0.93 RORC (0.43) HRH3POLBPDE4DPDE4APDE4B
SCHEMBL30780930 0.82 POLB (0.42) POLBPDE4DPDE4APDE4BPDE4C
SCHEMBL14454144 0.79 GPR6 (0.45) RORCGPR6
SCHEMBL12195758 0.77 POLB (0.64) POLBPDE4DPDE4APDE4BPDE4C
SCHEMBL26989922 0.77 HRH2 (0.36) HRH3
SCHEMBL22069550 0.76 HRH3 (0.52) HRH3POLBPDE4DPDE4APDE4B
SCHEMBL13105587 0.75 NPY1R (0.45) POLBPDE4DPDE4APDE4BPDE4C
SCHEMBL10188238 0.75 CSNK2A1 (0.41) HRH3PDE4DPDE4APDE4BPDE4C
SCHEMBL5881031 0.75 FPR2 (0.47)
SCHEMBL22114120 0.75 SYK (0.48) PDE4DPDE4APDE4BPDE4CGPR6

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-115677723-B 5-HT2A receptor antagonists and their use for treating central nervous system disorders 瀚远医药有限公司 2024-06-04 CN disclosed
CN-115677723-A 5-HT2A receptor antagonists and their use for the treatment of central nervous system disorders 瀚远医药有限公司 2023-02-03 CN disclosed
CN-113214289-B 5-HT2A receptor antagonists and their use for the treatment of central nervous system disorders 瀚远医药有限公司 2022-10-28 CN disclosed
CN-113214289-A 5-HT2A receptor antagonists and their use for the treatment of central nervous system disorders 瀚远医药有限公司 2021-08-06 CN disclosed