Sugi Predict

Sugi Predict / Compounds / SCHEMBL7364304

SCHEMBL7364304

SCHEMBL7364304

N=C(N)NCCCCCc1ccc2c(c1)C(=O)N(CCC(=O)O)CC(=O)N2Cc1cccc(NC(=O)CCCNC(=N)N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 5/20 0.38
▸ ITGA2B P08514 5/20 0.38
▸ ITGA2 P17301 1/20 0.35
▸ LIPG Q9Y5X9 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ TPSAB1 Q15661 1/20 0.33
▸ TPSD1 Q9BZJ3 1/20 0.33
▸ TPSG1 Q9NRR2 1/20 0.33
▸ MMP7 P09237 1/20 0.33
▸ MMP10 P09238 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CCKBR P32239 1/20 0.33
▸ PARP1 P09874 1/20 0.33

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
SCHEMBL7362987 0.95 KDM4E (0.38) ITGB3ITGA2BITGA2LIPGMMP7
SCHEMBL7358851 0.92 ITGB3 (0.39) ITGB3ITGA2BLIPGTSHRPARP1
SCHEMBL7358065 0.88 ITGB3 (0.37) ITGB3ITGA2BITGA2POLBTPSAB1
SCHEMBL7357668 0.85 KDM4E (0.41) ITGB3ITGA2BITGA2POLBTPSAB1
Trifluoroacetic Acid SCHEMBL7357517 0.84 ITGB3 (0.44) ITGB3ITGA2BITGA2POLBTPSAB1
Trifluoroacetic Acid SCHEMBL7364005 0.84 ITGB3 (0.44) ITGB3ITGA2BITGA2POLBTPSAB1
Trifluoroacetic Acid SCHEMBL7362872 0.83 ITGB3 (0.43) ITGB3ITGA2BITGA2TPSAB1TPSD1
SCHEMBL7356598 0.83 ITGB3 (0.36) ITGB3ITGA2BLIPGMMP13HPGD
Trifluoroacetic Acid SCHEMBL7326285 0.83 FDFT1 (0.36) ITGB3ITGA2BLIPG
Trifluoroacetic Acid SCHEMBL7324285 0.83 FDFT1 (0.36) ITGB3ITGA2BLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 — — EP claimed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 — — EP claimed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 — — WO claimed
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
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