SCHEMBL382848

SCHEMBL382848

O=C(O)CC(NSc1ccccc1)NC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.42
ITGAV P06756 3/20 0.42
ITGA2B P08514 3/20 0.42
FFAR4 Q5NUL3 2/20 0.38
NPY2R P49146 1/20 0.38
MTTP P55157 1/20 0.38
GAA P10253 2/20 0.36
MAPT P10636 4/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MEN1 O00255 1/20 0.35
USP30 Q70CQ3 1/20 0.35
CTSA P10619 1/20 0.35
CASR P41180 1/20 0.35
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 3/20 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
SCHEMBL383239 0.85 ITGB3 (0.55) ITGB3ITGAVITGA2BFFAR4NPY2R
SCHEMBL6798772 0.85 ITGB3 (0.44) ITGB3ITGAVITGA2BFFAR4NPY2R
SCHEMBL382678 0.84 ITGB3 (0.44) ITGB3ITGAVITGA2BFFAR4NPY2R
SCHEMBL384053 0.83 ITGB3 (0.41) ITGB3ITGAVITGA2BFFAR4MAPT
SCHEMBL382037 0.82 ITGB3 (0.55) ITGB3ITGAVITGA2BFFAR4NPY2R
SCHEMBL382777 0.81 ITGB3 (0.55) ITGB3ITGAVITGA2BFFAR4NPY2R
SCHEMBL7544338 0.80 ITGB3 (0.41) ITGB3ITGAVITGA2BFFAR4NPY2R
SCHEMBL382307 0.79 ITGB3 (0.47) ITGB3ITGAVITGA2BKMT2ALMNA
SCHEMBL6505536 0.78 ITGB3 (0.48) ITGB3ITGAVITGA2BKMT2AHDAC8
SCHEMBL6796296 0.78 ITGB3 (0.41) ITGB3ITGAVITGA2BFFAR4NPY2R

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