SCHEMBL384052

SCHEMBL384052

O=C(CCNC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1)ONC(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.41
ITGAV P06756 4/20 0.41
ITGA2B P08514 3/20 0.41
KDM1A O60341 6/20 0.37
MAOA P21397 6/20 0.37
KDM1B Q8NB78 6/20 0.37
RCOR1 Q9UKL0 6/20 0.37
MAOB P27338 4/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
TMPRSS15 P98073 1/20 0.36
GRM5 P41594 1/20 0.36
GRIN2B Q13224 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 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
SCHEMBL7471269 0.91 MEN1 (0.37) ITGB3ITGAVITGA2BKDM1AMAOA
SCHEMBL382568 0.90 ITGB3 (0.43) ITGB3ITGAVITGA2BMAPTSMN1; SMN2
SCHEMBL382409 0.88 KDM4E (0.40) ITGB3ITGAVMAPTGAAKMT2A
SCHEMBL7662184 0.88 KDM4E (0.46) KDM1AMAOAKDM1BRCOR1ALDH1A1
SCHEMBL382612 0.87 GAA (0.37) ITGB3ITGAVALDH1A1LMNAMAPT
SCHEMBL7467073 0.87 VCP (0.41) ITGB3ITGAVGAAKMT2AGRIN2B
SCHEMBL382677 0.85 ITGB3 (0.43) ITGB3ITGAVITGA2BSMN1; SMN2GAA
SCHEMBL382399 0.84 ITGB3 (0.40) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL383372 0.84 ITGB3 (0.42) ITGB3ITGAVITGA2BSMN1; SMN2GAA
SCHEMBL382847 0.84 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 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