SCHEMBL382298

SCHEMBL382298

COc1ccc(S(=O)(=O)C(N)(NC(=O)c2ccc(N3CCC(Nc4ncccn4)CC3)c(OC)c2)C(C(=O)O)C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.44
ITGAV P06756 1/20 0.44
ITGA2B P08514 1/20 0.44
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
USP30 Q70CQ3 1/20 0.36
F10 P00742 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
HDAC8 Q9BY41 1/20 0.35
PTK2 Q05397 1/20 0.34
ENPP1 P22413 1/20 0.34
CCR6 P51684 1/20 0.34
PAK1 Q13153 1/20 0.34

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
SCHEMBL383236 0.85 ITGB3 (0.43) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL382299 0.85 ITGB3 (0.42) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL383237 0.82 ITGB3 (0.46) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL7650900 0.80 ITGB3 (0.44) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL383234 0.78 ITGB3 (0.69) ITGB3ITGAVITGA2B
SCHEMBL7650917 0.77 ITGB3 (0.47) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL381828 0.77 DRD2 (0.43) ITGB3ITGAVITGA2BHTTDRD2
SCHEMBL383243 0.77 ITGB3 (0.51) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL383595 0.76 ITGB3 (0.49) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL383596 0.76 ITGB3 (0.43) ITGB3ITGAVITGA2BALDH1A1LMNA

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