SCHEMBL7303588

SCHEMBL7303588

CCOC(=O)CC1(C(=O)OCC)CCN(CC2CN(C3CCN(C(=N)NC(=O)OC(C)(C)C)CC3)C(=O)O2)CC1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
HTR2B P41595 3/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL7311068 0.88 KCNH2 (0.32) ITGB3ITGA2BKMT2AMEN1KDM4E
SCHEMBL7314699 0.86 KCNH2 (0.32) ITGB3ITGA2BKMT2AMEN1KDM4E
SCHEMBL7309169 0.86 ITGB3 (0.33) ITGB3ITGA2B
SCHEMBL7314252 0.86 KCNH2 (0.30)
SCHEMBL7310562 0.86 ITGB3 (0.37) GAAITGB3ITGA2BHTR2BKMT2A
SCHEMBL7311904 0.85 ITGB3 (0.32) ITGB3ITGA2BKMT2AMEN1
SCHEMBL7313324 0.85 ITGB3 (0.32) ITGB3ITGA2B
SCHEMBL7307030 0.82 HTR2B (0.38) ITGB3ITGA2BHTR2BKMT2AMEN1
SCHEMBL7313518 0.82 HTR2B (0.38) ITGB3ITGA2BHTR2BKMT2AMEN1
SCHEMBL7303264 0.81 HTR2B (0.38) ITGB3ITGA2BHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0727425-A1 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-08-21 EP disclosed