SCHEMBL7323161

SCHEMBL7323161

CCOC(=O)CC(C)N1C(=O)c2cc(C#CCOc3cc(C)nc(NC(=O)OC(C)(C)C)n3)ccc2N(Cc2ccccc2)C(=O)C1c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 3/20 0.33
RIPK1 Q13546 1/20 0.31
NPY1R P25929 1/20 0.30
CYP2C9 P11712 1/20 0.30
PTGER1 P34995 1/20 0.30

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
SCHEMBL7334472 0.94 MDM2 (0.33) MDM2RIPK1
SCHEMBL7326023 0.92 HDAC1 (0.31) MDM2RIPK1
SCHEMBL8842770 0.91
SCHEMBL7326584 0.91
SCHEMBL7320163 0.88 MDM2 (0.32) MDM2NPY1R
SCHEMBL7334527 0.86 ITGB3 (0.35) RIPK1CYP2C9PTGER1
SCHEMBL7328637 0.86
SCHEMBL8842944 0.85 SCN9A (0.32) MDM2
SCHEMBL8842936 0.84
SCHEMBL7329257 0.83 GABRA1 (0.31) RIPK1CYP2C9PTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5565449-A PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1996-10-15 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
US-5403836-A Anticoagulants GENENTECH, INC. (US) 1995-04-04 US disclosed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
US-5250679-A Nonpeptidyl platelet aggregation inhibitors having specificity for the GPIIb III.sub. receptor GENENTECH, INC. (US) 1993-10-05 US disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed