SCHEMBL7397188

SCHEMBL7397188

CCOC(=O)CCN1CC(=O)Nc2ccc(OCc3ccc(C#N)cc3)cc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.48
MAOA P21397 3/20 0.48
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
RAB9A P51151 1/20 0.41
TNF P01375 2/20 0.40
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
SCN7A Q01118 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
BACE1 P56817 1/20 0.37
SMPD1 P17405 1/20 0.37
ALK Q9UM73 1/20 0.36

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
SCHEMBL7404205 0.85 TNF (0.40) MAOBMAOARAB9ATNFHRH2
SCHEMBL7329425 0.84 ITGB3 (0.43) MAOBMAOARAB9ASCN7AKCNH2
SCHEMBL7328381 0.83 MAOB (0.41) MAOBMAOARAB9ASCN7AKCNH2
SCHEMBL7327119 0.81 MAOB (0.40) MAOBMAOARAB9ASCN7AKCNH2
SCHEMBL7401580 0.81 LMNA (0.40) RAB9ATNFKMT2A
SCHEMBL7395413 0.81 MAPT (0.43) RAB9ATNFKMT2A
SCHEMBL7361234 0.80 MAOB (0.39) MAOBMAOARAB9ASCN7AKCNH2
SCHEMBL7401659 0.79 BRD4 (0.51) TNF
SCHEMBL7323731 0.79 MAOB (0.38) MAOBMAOAPSEN1PSEN2APH1B
SCHEMBL7324527 0.79 MAOB (0.41) MAOBMAOARAB9AKCNH2SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5716951-A PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1998-02-10 US disclosed
US-5705890-A PLATELET AGGREGATION INHIBITOR, ANTITHROMBOTIC GENENTECH, INC. (US) 1998-01-06 US disclosed
EP-0708775-B1 TRICYCLIC INHIBITORS OF THE GPII b III a RECEPTOR GENENTECH INC (US) 1997-05-28 EP disclosed
EP-0708775-A1 TRICYCLIC INHIBITORS OF THE GPII b III a RECEPTOR GENENTECH INC (US) 1996-05-01 EP disclosed
US-5493020-A ANTICOAGULANTS GENENTECH, INC. (US) 1996-02-20 US disclosed
WO-1995004057-A1 TRICYCLIC INHIBITORS OF THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1995-02-09 WO disclosed