SCHEMBL383667

SCHEMBL383667

COc1cc(C(=O)NC[C@@H](C(=O)O)N(C(C)(C)C)S(=O)(=O)c2ccc(C(=O)O)cc2)ccc1N1CCC(Nc2ncccn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.52
ITGAV P06756 8/20 0.52
ITGA2B P08514 8/20 0.52
DRD2 P14416 3/20 0.38
DRD3 P35462 3/20 0.38
HPGD P15428 1/20 0.36
USP30 Q70CQ3 1/20 0.35
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL382492 0.84 ITGB3 (0.70) ITGB3ITGAVITGA2B
SCHEMBL383012 0.83 ITGB3 (0.46) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL383137 0.82 ITGB3 (0.49) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL382680 0.81 ITGB3 (0.51) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL381829 0.80 ITGB3 (0.57) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL382099 0.80 ITGB3 (0.54) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL7650917 0.80 ITGB3 (0.47) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL382927 0.79 ITGB3 (0.76) ITGB3ITGAVITGA2B
SCHEMBL383668 0.79 ITGB3 (0.48) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL383234 0.79 ITGB3 (0.69) ITGB3ITGAVITGA2B

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-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP disclosed