SCHEMBL14698199

SCHEMBL14698199

O=C(ON1C(=O)CCC1=O)[C@@H]1CCCN(C(=O)CCC2CCN(C(=O)O)CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.47
ITGA2B P08514 16/20 0.47
F2R P25116 14/20 0.47
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL14698321 0.86 HPGD (0.45) ITGB3ITGA2BF2RALDH1A1MEN1
SCHEMBL14635912 0.84 HTT (0.38) ALDH1A1MEN1KMT2A
SCHEMBL23883116 0.81 ALDH1A1 (0.60) ITGB3ITGA2BF2RALDH1A1MEN1
SCHEMBL23883115 0.81 ALDH1A1 (0.60) ITGB3ITGA2BF2RALDH1A1MEN1
SCHEMBL25453024 0.71 MEN1 (0.57) ITGB3ITGA2BF2RALDH1A1MEN1
SCHEMBL23424118 0.70 CHRM2 (0.41) ALDH1A1KMT2A
SCHEMBL15492415 0.70 CHRM2 (0.41) ALDH1A1KMT2A
SCHEMBL18685665 0.70 CHRM2 (0.41) ALDH1A1KMT2A
SCHEMBL15247085 0.70 CHRM2 (0.41) ALDH1A1KMT2A
SCHEMBL19404105 0.70 CHRM2 (0.41) ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3105221-A1 METAL CHELATE COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIB/IIIA Bayer Pharma Aktiengesellschaft (DE) 2016-12-21 EP disclosed
WO-2015121163-A1 METAL CHELATE COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIB/IIIA BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-08-20 WO disclosed
EP-2744802-A1 COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIB/IIIA AND THEIR USE FOR IMAGING OF THROMBI Piramal Imaging SA (CH) 2014-06-25 EP disclosed
WO-2013023795-A1 COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIB/IIIA AND THEIR USE FOR IMAGING OF THROMBI PIRAMAL IMAGING SA (CH) 2013-02-21 WO disclosed