SCHEMBL8980735

SCHEMBL8980735

O=C1c2ccc(Cl)cc2OCN1CCO

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.39
ALPL P05186 2/20 0.37
KDM4E B2RXH2 1/20 0.36
KMO O15229 1/20 0.35
TDP2 O95551 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAOB P27338 1/20 0.35
MAT2A P31153 1/20 0.34
TRPV1 Q8NER1 4/20 0.34
MAP3K14 Q99558 1/20 0.34
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34
PKM P14618 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MARS1 P56192 1/20 0.33

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
SCHEMBL8573189 0.89 MAOB (0.40) DPP4ALPLKMOTDP2TDP1
SCHEMBL9169246 0.87 MAOB (0.38) DPP4KMOMAOBMAP3K14
SCHEMBL8641729 0.84 MAOA (0.45) KDM4EMAOB
SCHEMBL8368757 0.83 KDM4E (0.35) KDM4E
SCHEMBL8575685 0.83 CYP19A1 (0.39) KDM4EMAOB
SCHEMBL8981302 0.81 ALDH1A1 (0.41) KDM4EKMOTDP1NPSR1
SCHEMBL8980589 0.80 PRMT5 (0.45) TRPV1
SCHEMBL8576909 0.80 ROCK2 (0.44) KDM4EMAOB
SCHEMBL6947117 0.79 TSHR (0.41) KDM4EMAOBPKMNPSR1
SCHEMBL9166368 0.78 ACHE (0.32) DPP4ALPLMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711286-A1 BENZOXAZINONES AND BENZOTHIAZINONES ENDOWED WITH THERAPEUTIC ACTIVITY ITALFARMACO S.p.A. (IT) 1996-05-15 EP disclosed
EP-0490183-B1 Benzoxazinone and benzothiazinone derivatives endowed with cardiovascular activity ITALFARMACO SPA (IT) 1995-04-19 EP disclosed
WO-1995004048-A1 BENZOXAZINONES AND BENZOTHIAZINONES ENDOWED WITH THERAPEUTIC ACTIVITY ITALFARMACO S.P.A. (IT) 1995-02-09 WO disclosed
US-5189034-A Vasodilating, antianginal agents ITALFARMACO S.P.A. (IT) 1993-02-23 US disclosed
EP-0490183-A1 Benzoxazinone and benzothiazinone derivatives endowed with cardiovascular activity ITALFARMACO S.p.A. (IT) 1992-06-17 EP disclosed