SCHEMBL7359281

SCHEMBL7359281

NCCCCCCc1ccc2c(c1)C(=O)N(CCC(=O)O)CC(=O)N2Cc1cccc(CCCCN)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
KDM4E B2RXH2 3/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
PARP1 P09874 2/20 0.36
PARP2 Q9UGN5 2/20 0.36
S1PR1 P21453 1/20 0.35
PLA2G10 O15496 1/20 0.35
PLA2G2A P14555 1/20 0.35
HDAC6 Q9UBN7 3/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 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
SCHEMBL7356598 0.91 ITGB3 (0.36) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7356465 0.91 PTGDR2 (0.42) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7358065 0.90 ITGB3 (0.37) ITGB3ITGA2BHPGDPARP1HDAC6
SCHEMBL7361697 0.90 ITGB3 (0.43) ITGB3ITGA2BKDM4EALOX15TSHR
Trifluoroacetic Acid SCHEMBL8842940 0.90 ATM (0.41) ITGB3ITGA2BS1PR1HDAC1HDAC8
SCHEMBL7357668 0.88 KDM4E (0.41) ITGB3ITGA2BKDM4EALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL7334531 0.88 HRH2 (0.39) ITGB3ITGA2BKDM4EALOX15TSHR
Trifluoroacetic Acid SCHEMBL7326588 0.88 HRH2 (0.39) ITGB3ITGA2BKDM4EALOX15TSHR
Trifluoroacetic Acid SCHEMBL7362872 0.87 ITGB3 (0.43) ITGB3ITGA2BMEN1KMT2A
Trifluoroacetic Acid SCHEMBL7328662 0.87 CTRB1 (0.40) ITGB3ITGA2BKDM4EALOX15TSHR

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