SCHEMBL7326303

SCHEMBL7326303

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.35
TP53 P04637 1/20 0.35
PDCD1 Q15116 2/20 0.33
CD274 Q9NZQ7 2/20 0.33
FFAR1 O14842 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ELANE P08246 2/20 0.32
GRM5 P41594 1/20 0.32
TNF P01375 1/20 0.32
POLB P06746 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MAOB P27338 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31

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
SCHEMBL7318695 0.92 TNF (0.36) MDM2TP53PDCD1CD274FFAR1
SCHEMBL7332082 0.92 MDM2 (0.35) MDM2TP53PDCD1CD274FFAR1
SCHEMBL7323174 0.90 MAPT (0.38) MDM2TP53ALDH1A1POLB
SCHEMBL7324070 0.90 ELANE (0.36) MDM2TP53PDCD1CD274FFAR1
SCHEMBL7330551 0.90 MDM2 (0.36) MDM2TP53PDCD1CD274FFAR1
SCHEMBL7355407 0.89 MDM2 (0.33) MDM2TP53KDM4EALDH1A1
SCHEMBL7324864 0.87 KDM4E (0.32) MDM2TP53KDM4EALDH1A1
SCHEMBL7331638 0.83 MDM2 (0.36) MDM2TP53PDCD1CD274FFAR1
SCHEMBL7332173 0.83 TNF (0.37) MDM2TP53PDCD1CD274FFAR1
SCHEMBL7331084 0.82 MDM2 (0.41) MDM2TP53FFAR1ALDH1A1ELANE

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
US-5403836-A Anticoagulants GENENTECH, INC. (US) 1995-04-04 US 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