SCHEMBL8698357

SCHEMBL8698357

COC(CCNc1cc(OCc2ccccc2)ccc1N)OC

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 4/20 0.45
MAOB P27338 6/20 0.43
MAOA P21397 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALOX5 P09917 1/20 0.41
BCHE P06276 2/20 0.40

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
SCHEMBL8693314 0.81 MAPT (0.45) MAPTRAB9ASMN1; SMN2
SCHEMBL17066419 0.80 MAOB (0.50) LNPEPMAOBMAOAGAAMAPT
Hydrochloric Acid SCHEMBL9893532 0.79 MAOB (0.49) LNPEPMAOBMAOAGAAMAPT
Hydrochloric Acid SCHEMBL9893513 0.79 MAOB (0.46) LNPEPMAOBMAOAGAAMAPT
SCHEMBL19586631 0.77 MAOB (0.53) LNPEPMAOBMAOAGAAMAPT
SCHEMBL2345729 0.77 MAOB (0.49) LNPEPMAOBMAOAGAAMAPT
SCHEMBL8695174 0.77 LNPEP (0.44) LNPEPMAOBMAOAGAAMAPT
Hydrochloric Acid SCHEMBL9893278 0.76 MAOB (0.51) LNPEPMAOBMAOAGAAMAPT
SCHEMBL20283156 0.75 LNPEP (0.45) LNPEPMAOBMAOAGAAMAPT
SCHEMBL23356660 0.73 MAOB (0.46) LNPEPMAOBMAOAGAAMAPT

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
US-5763615-A Methods for the preparation of benzyloxy benzotriazole herbicidal agents AMERICAN CYANAMID COMPANY (US) 1998-06-09 US disclosed
US-5686617-A RING CLOSURE, HYDROGENATION, ETHERIFICATION AMERICAN CYANAMID COMPANY (US) 1997-11-11 US disclosed