SCHEMBL383243

SCHEMBL383243

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.51
ITGAV P06756 7/20 0.51
ITGA2B P08514 7/20 0.51
ALDH1A1 P00352 6/20 0.42
LMNA P02545 3/20 0.42
USP2 O75604 2/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 3/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
HTR7 P34969 1/20 0.39
USP30 Q70CQ3 1/20 0.39
THRB P10828 2/20 0.38
MEN1 O00255 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 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
SCHEMBL382514 0.95 ITGB3 (0.52) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL383052 0.95 ITGB3 (0.56) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL382307 0.92 ITGB3 (0.47) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL6498611 0.88 DRD2 (0.41) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL382874 0.86 ITGB3 (0.38) ITGB3ITGAVITGA2BALDH1A1KMT2A
SCHEMBL383234 0.85 ITGB3 (0.69) ITGB3ITGAVITGA2B
SCHEMBL382791 0.84 ITGB3 (0.54) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL381839 0.84 ITGB3 (0.54) ITGB3ITGAVITGA2B
SCHEMBL382782 0.84 ITGB3 (0.54) ITGB3ITGAVITGA2BALDH1A1TSHR
SCHEMBL382346 0.84 ITGB3 (0.46) 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 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