SCHEMBL7330631

SCHEMBL7330631

CCOC(=O)CC(c1ccccc1)N1C(=O)c2cc(C#CCCCNC(=O)OC(C)(C)C)ccc2N(c2ccccc2)C(=O)C1c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.34
UTS2R Q9UKP6 2/20 0.33
MDM2 Q00987 1/20 0.32
GBA1 P04062 1/20 0.32
CNR1 P21554 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 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
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 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

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
SCHEMBL7324381 0.93 ADORA3 (0.34) ADORA3UTS2RMDM2GBA1CNR1
SCHEMBL7326230 0.92 HDAC1 (0.37) ADORA3UTS2RMDM2GBA1CNR1
SCHEMBL7325799 0.91 UTS2R (0.35) ADORA3UTS2RMDM2GBA1CNR1
SCHEMBL7322301 0.90 MDM2 (0.36) ADORA3UTS2RMDM2GBA1CNR1
SCHEMBL8842761 0.89 PDCD1 (0.31) UTS2RMDM2PDCD1CD274
SCHEMBL7333805 0.87 MDM2 (0.35) MDM2HDAC1HDAC6HDAC3HDAC4
SCHEMBL7325014 0.87 UTS2R (0.32) UTS2RMDM2
SCHEMBL7324643 0.86 PDCD1 (0.36) UTS2RTPSAB1TPSD1TPSG1PDCD1
SCHEMBL7326692 0.85 ADORA3 (0.36) ADORA3UTS2RCNR1DDB1CRBN
SCHEMBL7321486 0.85 HDAC1 (0.38) ADORA3MDM2GBA1CNR1TPSAB1

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