SCHEMBL8842944

SCHEMBL8842944

CCOC(=O)CC(c1ccccc1)N1C(=O)c2cc(C#CCOc3cc(C)nc(NC(=O)OC(C)(C)C)n3)ccc2N(C)C(=O)C1c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.32
HDAC1 Q13547 3/20 0.30
HDAC6 Q9UBN7 2/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
MDM2 Q00987 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRA6 Q16445 1/20 0.30

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
SCHEMBL7326023 0.93 HDAC1 (0.31) SCN9AHDAC1HDAC6HDAC3HDAC4
SCHEMBL7328637 0.93
SCHEMBL8842936 0.93
SCHEMBL7334472 0.92 MDM2 (0.33) MDM2
SCHEMBL8842770 0.87
SCHEMBL7323240 0.87 SCN9A (0.32) SCN9AMDM2
SCHEMBL7326584 0.86
SCHEMBL7327506 0.86 ITGB3 (0.36) HDAC1HDAC6GABRA1GABRG2GABRB3
SCHEMBL7323161 0.85 MDM2 (0.33) MDM2
SCHEMBL7326230 0.82 HDAC1 (0.37) SCN9AHDAC1HDAC6HDAC3HDAC4

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 5 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