SCHEMBL12450283

SCHEMBL12450283

C#CCNC1CCc2cc(Br)ccc21

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.64
MAOA P21397 8/20 0.64
ACHE P22303 6/20 0.64
BCHE P06276 2/20 0.64
ADRA2B P18089 1/20 0.64
ADRA2C P18825 1/20 0.64
ADRA1A P35348 1/20 0.64
HTR6 P50406 1/20 0.64
HRH3 Q9Y5N1 1/20 0.52

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
SCHEMBL17887837 0.84 MAOB (0.66) MAOBMAOAACHEBCHEADRA2B
SCHEMBL12450625 0.82 MAOB (0.64) MAOBMAOAACHEBCHEADRA2B
SCHEMBL5003611 0.82 MAOB (0.79) MAOBMAOAACHEBCHEADRA2B
SCHEMBL333100 0.82 MAOB (0.64) MAOBMAOAACHEBCHEADRA2B
Hydrochloric Acid SCHEMBL7337173 0.81 MAOB (0.62) MAOBMAOAACHEBCHEADRA2B
Rasagiline SCHEMBL333333 0.78 MAOB (1.00) MAOBMAOAACHEBCHEADRA2B
Rasagiline SCHEMBL2827373 0.78 MAOB (1.00) MAOBMAOAACHEBCHEADRA2B
Rasagiline SCHEMBL74699 0.78 MAOB (1.00) MAOBMAOAACHEBCHEADRA2B
Rasagiline SCHEMBL12787613 0.78 MAOB (1.00) MAOBMAOAACHEBCHEADRA2B
Azilect SCHEMBL332967 0.78 MAOB (1.00) MAOBMAOAACHEBCHEADRA2B

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
WO-2011097946-A1 OXAZOLIDINONE COMPOUNDS CONTAINING RING-FUSED BICYCLIC RING, PREPARATION METHOD AND USE THEREOF 山东轩竹医药科技有限公司 (CN) 2011-08-18 WO disclosed
CN-102153547-A Oxazolidinone antibiotic containing parallel rings SHANDONG XUANZHU PHARMACEUTICAL CO LTD OWN 2011-08-17 CN disclosed