SCHEMBL7325799

SCHEMBL7325799

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 3/20 0.35
ADORA3 P0DMS8 7/20 0.34
MDM2 Q00987 2/20 0.33
GBA1 P04062 1/20 0.32
CNR1 P21554 1/20 0.32
TPSAB1 Q15661 1/20 0.31
TPSD1 Q9BZJ3 1/20 0.31
TPSG1 Q9NRR2 1/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
CXCR1 P25024 1/20 0.31
CXCR2 P25025 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC9 Q9UKV0 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
SCHEMBL7330839 0.94 ADORA3 (0.34) UTS2RADORA3MDM2GBA1CNR1
SCHEMBL7326230 0.92 HDAC1 (0.37) UTS2RADORA3MDM2GBA1CNR1
SCHEMBL9263408 0.92 UTS2R (0.34) UTS2RMDM2TPSAB1TPSD1TPSG1
SCHEMBL7330631 0.91 ADORA3 (0.34) UTS2RADORA3MDM2GBA1CNR1
SCHEMBL7322301 0.90 MDM2 (0.36) UTS2RADORA3MDM2GBA1CNR1
SCHEMBL7333749 0.87 MDM2 (0.36) MDM2HDAC1HDAC6HDAC3HDAC4
SCHEMBL7331722 0.87 UTS2R (0.34) UTS2RMDM2
SCHEMBL7327457 0.86 TPSAB1 (0.35) UTS2RTPSAB1TPSD1TPSG1
SCHEMBL7321486 0.86 HDAC1 (0.38) ADORA3MDM2GBA1CNR1TPSAB1
SCHEMBL7324381 0.85 ADORA3 (0.34) UTS2RADORA3MDM2GBA1CNR1

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