SCHEMBL7326655

SCHEMBL7326655

O=C(O)CCNC(=O)c1cc(I)ccc1NCc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
GCG P01275 2/20 0.43
GCGR P47871 3/20 0.42
KCNA5 P22460 1/20 0.42
CA12 O43570 5/20 0.41
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA3 P07451 5/20 0.41
CA6 P23280 5/20 0.41
CA7 P43166 5/20 0.41
CA9 Q16790 5/20 0.41
CA13 Q8N1Q1 5/20 0.41
CA14 Q9ULX7 5/20 0.41
CA5B Q9Y2D0 5/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
AKR1B1 P15121 2/20 0.41
HDAC8 Q9BY41 1/20 0.40
CA5A P35218 4/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL9317706 0.83 GCG (0.44) GCGGCGRLMNAMAPT
SCHEMBL10048128 0.78 MAPT (0.48) MAPTHDAC8
SCHEMBL8959409 0.77 NPSR1 (0.40) CA1CA2LMNA
SCHEMBL9317443 0.76 AKR1B1 (0.54) FFAR1AKR1B1RAB9A
SCHEMBL7326942 0.73 KMT2A (0.41) LMNA
SCHEMBL7321950 0.73 PPARG (0.42) FFAR1CA12CA1CA2CA3
SCHEMBL7330066 0.72 KCNQ2 (0.47)
SCHEMBL7329535 0.72 CA1 (0.42) CA1CA2LMNA
SCHEMBL15419642 0.71 HSD17B10 (0.55) FFAR1CA1CA2MAPTHDAC8
SCHEMBL13392348 0.71 CCR2 (0.55) CA1CA2LMNA

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