SCHEMBL28618356

SCHEMBL28618356

CC1(C)COC(CBr)(c2ccc(C(F)(F)F)cc2)OC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
KDM1A O60341 2/20 0.40
SLC6A3 Q01959 5/20 0.37
SLC6A4 P31645 4/20 0.37
SLC6A2 P23975 1/20 0.37
OPRM1 P35372 2/20 0.36
OPRL1 P41146 2/20 0.36
PTPN1 P18031 1/20 0.33
GSK3B P49841 1/20 0.33
DAO P14920 1/20 0.32
RCOR1 Q9UKL0 1/20 0.31
HSD11B1 P28845 1/20 0.31
LMNA P02545 2/20 0.31
GAA P10253 1/20 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
SCHEMBL14392842 0.83 MAOA (0.44) MAOAMAOBKDM1ASLC6A3SLC6A4
SCHEMBL28609062 0.82 SLC6A3 (0.39) MAOAMAOBSLC6A3SLC6A4SLC6A2
SCHEMBL28612966 0.81 MAOA (0.42) MAOAMAOBKDM1ASLC6A3SLC6A4
SCHEMBL28604606 0.80 TAAR1 (0.39)
SCHEMBL28606889 0.80 MAOA (0.42) MAOAMAOBKDM1ASLC6A3SLC6A4
SCHEMBL28618351 0.79 SLC6A4 (0.39) MAOAMAOBKDM1ASLC6A3SLC6A4
SCHEMBL28604807 0.78 CHRNB2 (0.36) SLC6A3SLC6A2OPRM1OPRL1
SCHEMBL10852241 0.76 SLC6A2 (0.41) SLC6A3SLC6A4SLC6A2PTPN1GSK3B
SCHEMBL28611458 0.76 CHRNA1 (0.41) MAOAMAOBSLC6A3SLC6A4OPRM1
SCHEMBL28617612 0.75 MAOA (0.41) MAOAMAOBKDM1ASLC6A3SLC6A4

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-113234066-A Propiconazole-like compound and preparation method and application thereof 浙江工业大学 2021-08-10 CN disclosed