SCHEMBL7310664

SCHEMBL7310664

CCOC(=O)COC1CCN(C(=O)CC(N)(C(=O)c2ccc(C3=NOC(c4ccccc4)N3)cc2)c2ccccc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.38
ITGA2B P08514 4/20 0.38
FAAH O00519 1/20 0.33
BRD4 O60885 1/20 0.33
NPY2R P49146 1/20 0.32
CETP P11597 3/20 0.31
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.31
GPR119 Q8TDV5 1/20 0.30
PRMT5 O14744 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 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
SCHEMBL7310063 0.96 ITGB3 (0.40) ITGB3ITGA2BFAAHBRD4CETP
SCHEMBL7307131 0.83 ITGB3 (0.41) ITGB3ITGA2BFAAHBRD4ALDH1A1
SCHEMBL7317008 0.83 ITGB3 (0.45) ITGB3ITGA2BFAAHBRD4ALDH1A1
SCHEMBL7317003 0.83 ITGB3 (0.43) ITGB3ITGA2BFAAHMAPT
SCHEMBL7307129 0.79 ITGB3 (0.60) ITGB3ITGA2B
SCHEMBL7310657 0.78 ITGB3 (0.57) ITGB3ITGA2BGAA
SCHEMBL7310059 0.76 ITGB3 (0.64) ITGB3ITGA2B
SCHEMBL7315940 0.65 KDM4E (0.38) ITGB3ITGA2BBRD4ALDH1A1GAA
SCHEMBL7313686 0.65 ITGB3 (0.40) ITGB3ITGA2BALDH1A1GAAMAPT
SCHEMBL7313614 0.64 TMEM97 (0.42) ALDH1A1MAPT

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-0741133-A2 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-11-06 EP disclosed