SCHEMBL7326298

SCHEMBL7326298

CC(CC(=O)OC(=O)C(F)(F)F)N1C(=O)c2cc(CCC(=O)NCCN)ccc2N(C)C(=O)C1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.35
LMNA P02545 2/20 0.33
MDM2 Q00987 3/20 0.33
ALDH1A1 P00352 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
BRD4 O60885 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
RAB9A P51151 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL7331835 0.92 SLC6A9 (0.34) SLC6A9LMNAMDM2ALDH1A1BCHE
SCHEMBL7332200 0.92 SLC6A9 (0.32) SLC6A9LMNAALDH1A1BCHEACHE
SCHEMBL7328889 0.92 SLC6A9 (0.34) SLC6A9LMNAMDM2ALDH1A1
SCHEMBL8842698 0.92 SLC6A9 (0.32) SLC6A9LMNAALDH1A1BCHEACHE
SCHEMBL7334236 0.91 HDAC3 (0.36) SLC6A9LMNAMDM2ALDH1A1BCHE
SCHEMBL7325218 0.88 MDM2 (0.35) MDM2
SCHEMBL7324810 0.85 SLC6A9 (0.31) SLC6A9
SCHEMBL7325106 0.85 LMNA (0.32) SLC6A9LMNAALDH1A1BCHEACHE
SCHEMBL7324133 0.85 MDM2 (0.32) MDM2KMT2A
SCHEMBL7321138 0.84 MDM2 (0.34) 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