SCHEMBL383235

SCHEMBL383235

COc1ccc(S(=O)(=O)NOC(=O)CCNC(=O)c2ccc(N3CCC(Nc4ncccn4)CC3)c(OC)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.48
ITGAV P06756 1/20 0.48
ITGA2B P08514 1/20 0.48
ALDH1A1 P00352 11/20 0.43
TSHR P16473 2/20 0.43
USP2 O75604 2/20 0.43
LMNA P02545 2/20 0.43
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
USP30 Q70CQ3 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL382513 0.94 ITGB3 (0.49) ITGB3ITGAVITGA2BALDH1A1TSHR
SCHEMBL383051 0.94 ITGB3 (0.54) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL7468782 0.88 DRD4 (0.42) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL381827 0.85 USP30 (0.45) ITGB3ITGAVITGA2BTSHRLMNA
SCHEMBL382297 0.85 ITGB3 (0.44) ITGB3ITGAVITGA2BALDH1A1TSHR
SCHEMBL381838 0.84 ITGB3 (0.51) ITGB3ITGAVITGA2BHTTHDAC8
SCHEMBL382643 0.84 ITGB3 (0.52) ITGB3ITGAVITGA2BALDH1A1MEN1
SCHEMBL382100 0.84 ITGB3 (0.46) ITGB3ITGAVITGA2BTSHRLMNA
SCHEMBL383238 0.84 ITGB3 (0.52) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL383234 0.83 ITGB3 (0.69) ITGB3ITGAVITGA2B

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 4 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-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP claimed
US-6420558-B1 COMPOUNDS WITH AMIDINE GROUPS ANTAGONISTIC ACTIVITY, CELL ADHESION INHIBITORY ACTIVITY, HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY, AND THERAPEUTIC AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-16 US disclosed
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP disclosed