SCHEMBL8052274

SCHEMBL8052274

N=C(NO)c1ccc(N2CCN(C3CCN(CC(=O)O)CC3CC(=O)O)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.52
ITGA2B P08514 6/20 0.52
ALOX15 P16050 1/20 0.51
SLC18A3 Q16572 5/20 0.38
MAPK1 P28482 3/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HDAC1 Q13547 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
S1PR1 P21453 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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
Hydrochloric Acid SCHEMBL8443194 0.88 ALOX15 (0.42) ITGB3ITGA2BALOX15SLC18A3MAPK1
SCHEMBL8783409 0.88 ITGB3 (0.68) ITGB3ITGA2BALOX15
SCHEMBL8783382 0.88 ITGB3 (0.68) ITGB3ITGA2BALOX15
Hydrochloric Acid SCHEMBL8783790 0.87 ALOX15 (0.69) ITGB3ITGA2BALOX15
Hydrochloric Acid SCHEMBL8034192 0.87 ALOX15 (0.69) ITGB3ITGA2BALOX15
SCHEMBL8783617 0.81 POLB (0.46) ITGB3ITGA2BALOX15SLC18A3
Hydrochloric Acid SCHEMBL8783744 0.77 ALOX15 (0.66) ITGB3ITGA2BALOX15
SCHEMBL7357376 0.76 ITGB3 (0.52) ITGB3ITGA2BALOX15ALDH1A1HDAC1
SCHEMBL7080070 0.74 ITGB3 (0.69) ITGB3ITGA2BALOX15
SCHEMBL7346439 0.74 ITGB3 (0.69) ITGB3ITGA2BALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6057324-A HAVE GPIIB/IIIA RECEPTOR ANTAGONIZING ACTIVITY AND ARE USEFUL FOR AMELIORATING ISCHEMIC CARDIAC DISORDERS, FOR AMELIORATING CEREBROVASCULAR DISORDERS, AND FOR AMELIORATING PERIPHERAL ARTERY DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD (JP) 2000-05-02 US disclosed
EP-0905129-A1 SUBSTITUTED AMIDINOBENZENE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1999-03-31 EP disclosed