SCHEMBL7329535

SCHEMBL7329535

Nc1ccc(I)cc1C(=O)NCCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CCR2 P41597 1/20 0.40
FOLH1 Q04609 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
SIRT5 Q9NXA8 2/20 0.39
NME4 O00746 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
ADORA2A P29274 1/20 0.39
AVPR2 P30518 1/20 0.39
AGTR1 P30556 1/20 0.39
SLC6A4 P31645 1/20 0.39
AVPR1A P37288 1/20 0.39
HTR3A P46098 1/20 0.39
GCDH Q92947 1/20 0.39
SLC29A1 Q99808 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL8151587 0.91 CA1 (0.46) CA1CA2FOLH1LMNAMAPK1
SCHEMBL8921986 0.84 MAPT (0.41) CA1CA2CCR2KDM4EALDH1A1
SCHEMBL7104333 0.83 L3MBTL1 (0.48) CCR2L3MBTL1TDP1KDM4EALDH1A1
SCHEMBL7334498 0.81 CYP1A2 (0.39) KDM4EALDH1A1HPGDNOS2MAPK1
SCHEMBL7328344 0.80 HRH4 (0.42) LMNAL3MBTL1ALDH1A1MAPK1
SCHEMBL13753892 0.80 NOS2 (0.43) CA2CCR2LMNAL3MBTL1KDM4E
SCHEMBL8959409 0.79 NPSR1 (0.40) CA1CA2FOLH1LMNAL3MBTL1
SCHEMBL27624942 0.78 TOP2A (0.48) CA1CA2CCR2LMNAKDM4E
SCHEMBL4955428 0.78 ALDH1A1 (0.59) CA1CA2LMNANPSR1KDM4E
SCHEMBL13408851 0.77 HPGD (0.52) CA1CA2CCR2KDM4EALDH1A1

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