SCHEMBL7329889

SCHEMBL7329889

CCOC(=O)CCNC(=O)c1cc(OCc2ccc(C#N)cc2)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.46
SMPD1 P17405 1/20 0.45
MAOB P27338 2/20 0.41
SPHK2 Q9NRA0 2/20 0.41
SPHK1 Q9NYA1 2/20 0.41
MAPT P10636 2/20 0.40
CYP3A4 P08684 1/20 0.39
ADAM17 P78536 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GCK P35557 1/20 0.39
TNF P01375 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LTA4H P09960 1/20 0.39

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
SCHEMBL7323036 0.87 MAPT (0.45) RAB9ASMPD1MAOBSPHK2SPHK1
SCHEMBL7398973 0.84 RAB9A (0.42) RAB9ASMPD1MAOBSPHK2SPHK1
SCHEMBL7324974 0.82 AKR1B1 (0.46) RAB9ASMPD1MAOBMAPTTNF
SCHEMBL3929566 0.74 MAPT (0.55) RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9317937 0.74 SMPD1 (0.46) RAB9ASMPD1MAOBSPHK2SPHK1
SCHEMBL5090265 0.74 RAB9A (0.51) RAB9ASMPD1MAOBSPHK2SPHK1
SCHEMBL7334498 0.73 CYP1A2 (0.39) MAPTCYP3A4SMN1; SMN2ALDH1A1TP53
SCHEMBL22447642 0.73 CYP1A2 (0.47) MAPTCYP3A4ALDH1A1HPGD
SCHEMBL406494 0.73 GAA (0.49) MAPTSMN1; SMN2TNFIRAK4ALDH1A1
SCHEMBL9404671 0.71 MAPT (0.58) MAPTSMN1; SMN2ALDH1A1HPGDLTA4H

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 13 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
US-5674863-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
US-5674865-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
US-5663166-A ANTICOAGULANTS OF 1,4-BENZODIAZEPINE-2,5-DIONE AND 2-BENZOAZEPINE-1,4-DIONE DERIVATIVES; PREVENTS FIBRINOGEN BINDING NECESSARY FOR PLATELET AGGREGATION; SIDE EFFECT REDUCTION, E.G. EXCESSIVE BLEEDING GENENTECH, INC. (US) 1997-09-02 US disclosed
EP-0708775-B1 TRICYCLIC INHIBITORS OF THE GPII b III a RECEPTOR GENENTECH INC (US) 1997-05-28 EP disclosed
US-5565449-A PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1996-10-15 US 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
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP disclosed
WO-1995004057-A1 TRICYCLIC INHIBITORS OF THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1995-02-09 WO disclosed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed