Butylbenzyl

Butylbenzyl

SCHEMBL6867534

CCCCc1ccccc1.CCNCc1cccc(N)c1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.53
MAOA P21397 2/20 0.53
SIGMAR1 Q99720 5/20 0.46
CYP19A1 P11511 1/20 0.44
BCHE P06276 1/20 0.42
TLR7 Q9NYK1 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL951867 0.86 MAOB (0.48) MAOBMAOACYP19A1CYP1A2CYP2D6
SCHEMBL957394 0.81 MAOA (0.61) MAOBMAOASIGMAR1CYP19A1TLR7
SCHEMBL3038687 0.81 MAOA (0.61) MAOBMAOASIGMAR1CYP19A1TLR7
SCHEMBL27263640 0.80 CYP1A2 (0.58) MAOBMAOASIGMAR1CYP1A2CYP2D6
SCHEMBL11934786 0.79 CYP19A1 (0.47) MAOBMAOACYP19A1
SCHEMBL6675557 0.78 MAOA (0.63) MAOBMAOASIGMAR1CYP19A1BCHE
SCHEMBL14931724 0.77 MAOB (0.61) MAOBMAOACYP19A1BCHE
SCHEMBL29402451 0.76 MAOA (0.59) MAOBMAOASIGMAR1CYP19A1KCNH2
SCHEMBL292943 0.76 MAOA (0.59) MAOBMAOASIGMAR1CYP19A1KCNH2
Hydrochloric Acid SCHEMBL8396121 0.76 MAOB (0.62) MAOBMAOACYP19A1BCHE

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
US-6815445-B2 FOR USE AS FLUORESCENCE DYES AND PROBES Life Technologies Corporation 2004-11-09 US disclosed