SCHEMBL383138

SCHEMBL383138

COc1cc(C(=O)NC[C@](NC(=O)OCc2ccccc2)(C(=O)O)C(C)(C)C)ccc1N1CCC(Nc2ncccn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.43
ITGAV P06756 2/20 0.43
ITGA2B P08514 1/20 0.43
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
SMPD3 Q9NY59 1/20 0.36
USP30 Q70CQ3 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
STING1 Q86WV6 1/20 0.36
DRD4 P21917 1/20 0.35
EHMT2 Q96KQ7 1/20 0.35
SMPD1 P17405 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL382402 0.91 ITGB3 (0.40) ITGB3ITGAVITGA2B
SCHEMBL381721 0.88 ITGB3 (0.40) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL6499269 0.87 VCP (0.40) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL383136 0.86 DRD2 (0.41) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL382990 0.84 ITGB3 (0.38) ITGB3ITGAVDRD2DRD3
SCHEMBL382191 0.84 ITGB3 (0.53) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL382567 0.83 ITGB3 (0.55) ITGB3ITGAVITGA2B
SCHEMBL382694 0.82 ITGB3 (0.46) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL383668 0.82 ITGB3 (0.48) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL382568 0.81 ITGB3 (0.43) 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 2 patents. 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 claimed
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP disclosed