SCHEMBL7323307

SCHEMBL7323307

CCOC(=O)CCNC(=O)c1cc(I)ccc1NC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MCL1 Q07820 1/20 0.37
MAP2K2 P36507 3/20 0.37
MAP2K1 Q02750 3/20 0.37
TOP2A P11388 1/20 0.36
CASP1 P29466 1/20 0.35

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
SCHEMBL7325820 0.85 HRH4 (0.43) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL7322396 0.85 ALDH1A1 (0.45) MAPTALDH1A1MCL1TOP2A
SCHEMBL7334498 0.84 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C19MAPTSMN1; SMN2
SCHEMBL7326028 0.83 MAPT (0.41) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL8959409 0.83 NPSR1 (0.40) MAP2K2MAP2K1
SCHEMBL7322908 0.82 PTGS2 (0.43) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL7323779 0.82 ADORA3 (0.43) CYP3A4CYP2C19MAPTSMN1; SMN2ALDH1A1
SCHEMBL7325137 0.82 CRBN (0.51) SMN1; SMN2ALDH1A1KDM4EHPGDMEN1
SCHEMBL7330092 0.81 BACE1 (0.41) CYP1A2CYP3A4CYP2C19MAPTSMN1; SMN2
SCHEMBL7795525 0.81 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C19MAPTSMN1; SMN2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5674863-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
US-5674865-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
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