SCHEMBL442828

SCHEMBL442828

CC(C)(C)[C@](N)(CNC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.43
ITGAV P06756 3/20 0.43
ITGA2B P08514 3/20 0.43
GAA P10253 3/20 0.39
NPY2R P49146 1/20 0.39
MTTP P55157 1/20 0.39
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 6/20 0.37
ALDH1A1 P00352 5/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 3/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MEN1 O00255 1/20 0.37
USP30 Q70CQ3 1/20 0.37
TMPRSS15 P98073 1/20 0.37
TSHR P16473 2/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL382694 0.88 ITGB3 (0.46) ITGB3ITGAVITGA2BUSP30
SCHEMBL6797617 0.86 ITGB3 (0.42) ITGB3ITGAVITGA2BGAANPY2R
SCHEMBL383009 0.86 DRD2 (0.42) ITGB3ITGAVITGA2BMAPTLMNA
SCHEMBL383373 0.83 ITGB3 (0.40) ITGB3ITGAVITGA2BGAANPY2R
SCHEMBL382826 0.83 ITGB3 (0.51) ITGB3ITGAVITGA2BGAANPY2R
SCHEMBL382645 0.82 ITGB3 (0.49) ITGB3ITGAVITGA2BGAANPY2R
SCHEMBL27476109 0.82 ITGB3 (0.49) ITGB3ITGAVITGA2BGAANPY2R
SCHEMBL382402 0.81 ITGB3 (0.40) ITGB3ITGAVITGA2BGAANPY2R
SCHEMBL382676 0.81 ITGB3 (0.52) ITGB3ITGAVITGA2BGAANPY2R
SCHEMBL383374 0.81 ITGB3 (0.55) ITGB3ITGAVITGA2BGAANPY2R

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 claimed