SCHEMBL7322301

SCHEMBL7322301

CCOC(=O)CC(c1ccccc1)N1C(=O)c2cc(C#CCCCNC(=O)OC(C)(C)C)ccc2N(Cc2ccccc2)C(=O)C1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.36
ADORA3 P0DMS8 7/20 0.34
ALDH1A1 P00352 1/20 0.33
CNR1 P21554 1/20 0.32
UTS2R Q9UKP6 1/20 0.32
CXCR1 P25024 1/20 0.32
CXCR2 P25025 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
PGGT1B P53609 1/20 0.32
KCNH2 Q12809 1/20 0.32
BRD4 O60885 1/20 0.31
GBA1 P04062 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
SCHEMBL7323083 0.93 MDM2 (0.38) MDM2ADORA3ALDH1A1CNR1FNTA
SCHEMBL7326230 0.91 HDAC1 (0.37) MDM2ADORA3CNR1UTS2RGBA1
SCHEMBL7330631 0.90 ADORA3 (0.34) MDM2ADORA3CNR1UTS2RCXCR1
SCHEMBL7325799 0.90 UTS2R (0.35) MDM2ADORA3CNR1UTS2RCXCR1
SCHEMBL7325175 0.88 MDM2 (0.40) MDM2ALDH1A1
SCHEMBL7330723 0.88 MDM2 (0.35) MDM2ALDH1A1UTS2R
SCHEMBL7334878 0.87 TPSAB1 (0.35) MDM2ALDH1A1UTS2RBRD4
SCHEMBL7329988 0.85 ADORA3 (0.36) ADORA3CNR1UTS2RBRD4
SCHEMBL7327303 0.85 RIPK1 (0.34) MDM2
SCHEMBL7332636 0.84 MDM2 (0.35) MDM2

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