SCHEMBL7361482

SCHEMBL7361482

CCC(C(=O)O)N1CC(=O)N(Cc2ccc(Cl)cc2)c2ccc(CCCCCCN)cc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SDCBP O00560 2/20 0.37
SDC2 P34741 2/20 0.37
PTGDR2 Q9Y5Y4 3/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH3A1 P30838 4/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC6 Q9UBN7 3/20 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
SCHEMBL7355540 0.88 ITGB3 (0.39) SDCBPSDC2TP53
SCHEMBL9282885 0.86 ALDH1A1 (0.36) PTGDR2CA12CA1CA2CA9
SCHEMBL7361582 0.85 EDNRB (0.34) SDCBPSDC2PTGDR2CA12CA1
SCHEMBL7361488 0.83 HDAC1 (0.37) PTGDR2CA12CA1CA2CA9
SCHEMBL7361484 0.82 PPARG (0.37) PTGDR2CA12CA1CA2CA9
SCHEMBL7362167 0.81 NAAA (0.39) PTGDR2CA12CA1CA2CA9
SCHEMBL7359437 0.80 PPARG (0.37) SDCBPSDC2PTGDR2ALDH1A1MAPT
SCHEMBL7363301 0.80 ALOX15 (0.36) SDCBPSDC2ALDH1A1MAPTMEN1
SCHEMBL7356465 0.80 PTGDR2 (0.42) PTGDR2CA12CA1CA2CA9
SCHEMBL7358573 0.77 ITGB3 (0.42) ALDH3A1HDAC1HDAC6HDAC8

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 6 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
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed