SCHEMBL11250705

SCHEMBL11250705

COc1ccc(C2(CCCBr)OCCO2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.37
GSK3B P49841 1/20 0.37
ALDH1A1 P00352 1/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRND Q07001 1/20 0.35
KMT2A Q03164 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34

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
SCHEMBL11247712 0.94 MAOB (0.37) MAOBMAOASIRT2GSK3BALDH1A1
SCHEMBL10848899 0.90 MAOB (0.41) MAOBMAOAGSK3BALDH1A1CHRNA1
SCHEMBL11248824 0.87 GRIN1 (0.43) MAOBMAOASIRT2GSK3BALDH1A1
SCHEMBL1593292 0.84 SMN1; SMN2 (0.36) MAOBMAOAALDH1A1CHRNA1CHRNG
SCHEMBL3900022 0.83 MAOB (0.43) MAOBMAOAGSK3BALDH1A1CHRNA1
SCHEMBL11237020 0.83 RYR2 (0.36) MAOBMAOAALDH1A1CHRNA1CHRNG
SCHEMBL11234077 0.82 TSHR (0.41) ALDH1A1KMT2ACA12CA1CA2
SCHEMBL11235787 0.82 MAOB (0.34) MAOBMAOAGSK3BCHRNA1CHRNG
SCHEMBL11250459 0.81 SMN1; SMN2 (0.38) MAOBMAOAALDH1A1CHRNA1CHRNG
SCHEMBL11237185 0.80 MAOB (0.37) MAOBMAOASIRT2GSK3BALDH1A1

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