SCHEMBL11235787

SCHEMBL11235787

Cc1ccc(C2(CCCBr)OCCO2)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.34
MAOA P21397 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
GSK3B P49841 1/20 0.32
LMNA P02545 1/20 0.31
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
SLC6A2 P23975 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CHRND Q07001 1/20 0.31

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
SCHEMBL11243674 0.93 MAOB (0.33) MAOBMAOAL3MBTL1GSK3BLMNA
SCHEMBL11239184 0.85 CHRNA1 (0.35) MAOBMAOAL3MBTL1CHRNA1CHRNG
SCHEMBL11239172 0.83 MAOA (0.34) MAOBMAOAGSK3BLMNASLC6A3
SCHEMBL4613107 0.83 L3MBTL1 (0.33) MAOBMAOAL3MBTL1LMNACHRNA1
SCHEMBL4783521 0.82 L3MBTL1 (0.43) MAOBMAOAL3MBTL1
SCHEMBL11250705 0.82 MAOB (0.39) MAOBMAOAGSK3BCHRNA1CHRNG
SCHEMBL11238206 0.82 POLB (0.34)
SCHEMBL3891785 0.82 MAOB (0.38) MAOBMAOAL3MBTL1GSK3BLMNA
SCHEMBL2084122 0.81 CNR1 (0.40) L3MBTL1
SCHEMBL11241311 0.81 L3MBTL1 (0.32) MAOBMAOAL3MBTL1LMNACHRNA1

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