SCHEMBL8636633

SCHEMBL8636633

O=C1c2cc(O)ccc2OCN1CCO

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
CYP3A4 P08684 2/20 0.35
ESR1 P03372 3/20 0.34
ESR2 Q92731 2/20 0.34
AR P10275 2/20 0.34
KDM4E B2RXH2 1/20 0.33
UGT1A1 P22309 1/20 0.33
PBRM1 Q86U86 1/20 0.33
KMT2A Q03164 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
WEE1 P30291 1/20 0.32

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
SCHEMBL8641729 0.88 MAOA (0.45) ALDH1A1MAOAMAOBCYP3A4ESR1
SCHEMBL8980601 0.87 APP (0.39) ALDH1A1ESR1ESR2PBRM1KMT2A
SCHEMBL8641437 0.87 MAPT (0.40) MAPTALDH1A1RAB9AMAOAMAOB
SCHEMBL8368757 0.84 KDM4E (0.35) KDM4E
SCHEMBL8980606 0.84 FABP6 (0.41) ALDH1A1RAB9AKDM4EKMT2ADRD2
SCHEMBL8573189 0.84 MAOB (0.40) MAPTALDH1A1MAOB
SCHEMBL8640110 0.84 ALDH1A1 (0.40) MAPTALDH1A1RAB9ACYP3A4KDM4E
SCHEMBL9174068 0.84 MEN1 (0.43) MAPTALDH1A1RAB9AKDM4EKMT2A
SCHEMBL8980607 0.82 PARP1 (0.39) MAPTALDH1A1RAB9AKMT2A
SCHEMBL7249895 0.81 KDM4E (0.40) MAPTALDH1A1RAB9AESR1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0566018-B1 Benzoxazinone and benzothiazinone derivatives endowed with cardiovascular activity ITALFARMACO SPA (IT) 1998-08-05 EP disclosed
US-5480882-A Benzoxazinone and benzothiazinone derivatives having cardiovascular activity ITALFARMACO S.P.A. (IT) 1996-01-02 US disclosed
EP-0566018-A2 Benzoxazinone and benzothiazinone derivatives endowed with cardiovascular activity ITALFARMACO S.p.A. (IT) 1993-10-20 EP disclosed