SCHEMBL11230749

SCHEMBL11230749

CC1OC(CCCBr)(c2ccc(Cl)cc2)OC1C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
KDM1A O60341 1/20 0.33
CHRNA1 P02708 2/20 0.32
CHRNG P07510 2/20 0.32
CHRNB1 P11230 2/20 0.32
CHRNB2 P17787 2/20 0.32
SLC6A2 P23975 2/20 0.32
CHRNB4 P30926 2/20 0.32
SLC6A4 P31645 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRNA4 P43681 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CHRND Q07001 2/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
GSK3B P49841 1/20 0.31
UTS2R Q9UKP6 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
SCHEMBL11240998 0.87 MAOB (0.33) MAOAMAOBCHRNA1CHRNGCHRNB1
SCHEMBL11246601 0.85 SOAT1 (0.39)
SCHEMBL11256266 0.83 SLC6A2 (0.32) MAOAMAOBKDM1ACHRNA1CHRNG
SCHEMBL11244534 0.83 MAOB (0.38) MAOAMAOBCHRNA1CHRNGCHRNB1
SCHEMBL11242387 0.81 SLC6A3 (0.34) MAOAMAOBKDM1ACHRNA1CHRNG
SCHEMBL11234350 0.80 HMOX1 (0.36) MAOAMAOBKDM1ACHRNA1CHRNG
SCHEMBL11234671 0.78 L3MBTL1 (0.38)
SCHEMBL11239172 0.78 MAOA (0.34) MAOAMAOBKDM1ASLC6A4SLC6A3
SCHEMBL11243351 0.76 CHRNA1 (0.35) MAOAMAOBKDM1ACHRNA1CHRNG
SCHEMBL11240325 0.75 SLC6A4 (0.33) MAOAMAOBKDM1ACHRNA1CHRNG

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
EP-0049565-A2 Derivatives of substituted N-alkylimidazoles, their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1982-04-14 EP disclosed
US-4321272-A Derivatives of substituted N-alkylimidazoles SYNTEX (U.S.A.) INC. (US) 1982-03-23 US disclosed