SCHEMBL383237

SCHEMBL383237

COc1ccc(S(=O)(=O)[C@@](N)(CNC(=O)c2ccc(N3CCC(Nc4ncccn4)CC3)c(OC)c2)C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.46
ITGAV P06756 1/20 0.46
ITGA2B P08514 1/20 0.46
ALDH1A1 P00352 7/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
TSHR P16473 2/20 0.39
USP2 O75604 2/20 0.39
F10 P00742 2/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
USP30 Q70CQ3 1/20 0.37
MAPT P10636 1/20 0.37
GLA P06280 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7650917 0.95 ITGB3 (0.47) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL383236 0.85 ITGB3 (0.43) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL27458666 0.84 ITGB3 (0.49) ITGB3ITGAVITGA2BALDH1A1DRD2
SCHEMBL382299 0.84 ITGB3 (0.42) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL382645 0.84 ITGB3 (0.49) ITGB3ITGAVITGA2BALDH1A1SMN1; SMN2
SCHEMBL27476109 0.84 ITGB3 (0.49) ITGB3ITGAVITGA2BALDH1A1SMN1; SMN2
SCHEMBL382694 0.83 ITGB3 (0.46) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL382298 0.82 ITGB3 (0.44) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL383234 0.81 ITGB3 (0.69) ITGB3ITGAVITGA2B
SCHEMBL383235 0.81 ITGB3 (0.48) 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 3 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
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 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