SCHEMBL381829

SCHEMBL381829

COc1cc(C(=O)NC[C@H](NC(C)(C)C)C(=O)O)ccc1N1CCC(Nc2ncccn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.57
ITGAV P06756 8/20 0.57
ITGA2B P08514 8/20 0.57
DRD2 P14416 3/20 0.43
DRD3 P35462 3/20 0.43
USP30 Q70CQ3 1/20 0.40
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
TP53 P04637 1/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL383374 0.89 ITGB3 (0.55) ITGB3ITGAVITGA2BLMNA
SCHEMBL382099 0.87 ITGB3 (0.54) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL382927 0.86 ITGB3 (0.76) ITGB3ITGAVITGA2B
SCHEMBL382190 0.85 ITGAV (0.63) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL382492 0.85 ITGB3 (0.70) ITGB3ITGAVITGA2B
SCHEMBL382567 0.85 ITGB3 (0.55) ITGB3ITGAVITGA2B
SCHEMBL381767 0.85 ITGB3 (0.51) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL6496378 0.84 ITGB3 (0.42) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL383234 0.84 ITGB3 (0.69) ITGB3ITGAVITGA2B
SCHEMBL381827 0.82 USP30 (0.45) ITGB3ITGAVITGA2BDRD2DRD3

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