SCHEMBL7323174

SCHEMBL7323174

CCOC(=O)CC(C)N1C(=O)c2cc(CCc3cccc(C#N)c3)ccc2N(Cc2ccccc2)C(=O)C1c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
PKM P14618 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MDM2 Q00987 11/20 0.36
TP53 P04637 2/20 0.35
TRPC5 Q9UL62 1/20 0.33
POLB P06746 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
SCHEMBL7331084 0.92 MDM2 (0.41) MAPTPKMALDH1A1MAPK1NPSR1
SCHEMBL7331262 0.91 MAPT (0.37) MAPTPKMALDH1A1MAPK1NPSR1
SCHEMBL7332082 0.91 MDM2 (0.35) ALDH1A1MDM2TP53POLB
SCHEMBL7326303 0.90 MDM2 (0.35) ALDH1A1MDM2TP53POLB
SCHEMBL7362794 0.90 MAPT (0.36) MAPTPKMALDH1A1MAPK1NPSR1
SCHEMBL7324070 0.90 ELANE (0.36) MDM2TP53POLB
SCHEMBL7329383 0.88 MAPT (0.38) MAPTPKMALDH1A1MAPK1NPSR1
SCHEMBL7334461 0.84 MDM2 (0.39) MAPTPKMALDH1A1MAPK1NPSR1
SCHEMBL7333413 0.83 MDM2 (0.51) MDM2TP53
SCHEMBL7329583 0.83 MDM2 (0.41) MAPTPKMALDH1A1MAPK1NPSR1

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-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
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