SCHEMBL384053

SCHEMBL384053

O=C(O)CC(NC(=O)OCc1ccccc1)NC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.41
ITGAV P06756 8/20 0.41
ITGA2B P08514 3/20 0.41
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.37
CASP1 P29466 2/20 0.37
GRM5 P41594 1/20 0.37
GRIN2B Q13224 1/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TMPRSS15 P98073 1/20 0.36
FFAR4 Q5NUL3 2/20 0.36

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
SCHEMBL382569 0.89 ITGB3 (0.43) ITGB3ITGAVITGA2BCASP1
SCHEMBL382613 0.88 ITGB3 (0.42) ITGB3ITGAVCASP1GRIN2B
SCHEMBL7651398 0.87 SLC6A7 (0.43) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL382410 0.87 ITGB3 (0.44) ITGB3ITGAVITGA2BMAPTCASP1
SCHEMBL7467089 0.87 ITGB3 (0.43) ITGB3ITGAVITGA2BCASP1GRIN2B
SCHEMBL384051 0.85 ITGB3 (0.53) ITGB3ITGAVITGA2B
SCHEMBL382848 0.83 ITGB3 (0.42) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL383239 0.83 ITGB3 (0.55) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL6798772 0.83 ITGB3 (0.44) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL382678 0.82 ITGB3 (0.44) 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 6 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
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP claimed
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP disclosed
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