SCHEMBL7363301

SCHEMBL7363301

CCC(C(=O)O)N1CC(=O)N(C(c2ccccc2)c2ccccc2)c2ccc(CCCCCCN)cc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 2/20 0.34
SDCBP O00560 7/20 0.33
SDC2 P34741 7/20 0.33
C3AR1 Q16581 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR2A P28223 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
XIAP P98170 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31

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
SCHEMBL9286276 0.89 MEN1 (0.35) MEN1KMT2AHTR2A
SCHEMBL7355380 0.88 ALDH1A1 (0.36) ALOX15MAPTSMN1; SMN2KDM4EC3AR1
SCHEMBL7356126 0.86 ITGB3 (0.39) ITGB3ITGA2B
SCHEMBL7363304 0.83 LTB4R (0.32)
SCHEMBL7359373 0.83 ITGB3 (0.38) ALOX15MAPTSMN1; SMN2KDM4EITGB3
SCHEMBL7356192 0.82 ITGB3 (0.38) ALOX15MAPTSMN1; SMN2KDM4ESDCBP
SCHEMBL8959490 0.81 KDM4E (0.41) ALOX15MAPTKDM4EALDH1A1TSHR
SCHEMBL7357560 0.81 KDM4E (0.41) ALOX15MAPTKDM4EALDH1A1TSHR
SCHEMBL7361482 0.80 SDCBP (0.37) MAPTSMN1; SMN2SDCBPSDC2MEN1
SCHEMBL7358610 0.78 PLA2G4A (0.35) ALOX15MAPTSMN1; SMN2KDM4ESDCBP

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 7 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-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
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed