SCHEMBL8052283

SCHEMBL8052283

N=C(N)c1cc(O)ccc1N1CCN(C2CCN(CC(=O)O)CC2CC(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
ALOX15 P16050 1/20 0.42
OPRK1 P41145 2/20 0.35
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SLC18A3 Q16572 1/20 0.30

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 SCHEMBL8045554 0.90 BACE1 (0.36) ITGB3ITGA2BALOX15
SCHEMBL8783409 0.79 ITGB3 (0.68) ITGB3ITGA2BALOX15
SCHEMBL8783382 0.79 ITGB3 (0.68) ITGB3ITGA2BALOX15
Hydrochloric Acid SCHEMBL8783790 0.79 ALOX15 (0.69) ITGB3ITGA2BALOX15
Hydrochloric Acid SCHEMBL8034192 0.79 ALOX15 (0.69) ITGB3ITGA2BALOX15
SCHEMBL8052274 0.72 ITGB3 (0.52) ITGB3ITGA2BALOX15SLC18A3
SCHEMBL8045537 0.71 ITGB3 (0.51) ITGB3ITGA2BALOX15
SCHEMBL8783617 0.71 POLB (0.46) ITGB3ITGA2BALOX15SLC18A3
Hydrochloric Acid SCHEMBL8783744 0.69 ALOX15 (0.66) ITGB3ITGA2BALOX15
SCHEMBL8323744 0.69 ITGB3 (0.65) ITGB3ITGA2BALOX15MEN1KMT2A

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