SCHEMBL382798

SCHEMBL382798

CC(C)(C)OC(=O)CC(NC(=O)c1ccc(N2CCC(Nc3nc4ccccc4n3C(=O)OC(C)(C)C)CC2)cc1)NS(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.38
NR1H3 Q13133 1/20 0.38
ALK Q9UM73 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
ITGA2B P08514 1/20 0.38
MMP13 P45452 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SSTR5 P35346 3/20 0.35
KCNH2 Q12809 3/20 0.35
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
KDM4E B2RXH2 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HDAC1 Q13547 1/20 0.34

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
SCHEMBL382554 0.95 MMP13 (0.39) NR1H2NR1H3ALKITGB3ITGAV
SCHEMBL383114 0.92 MAPT (0.39) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL7860398 0.88 SMN1; SMN2 (0.36) NR1H2ITGB3ITGAVITGA2BLMNA
SCHEMBL7860292 0.87 MAPT (0.39) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL382797 0.86 ITGB3 (0.46) NR1H2NR1H3ALKITGB3ITGAV
SCHEMBL382553 0.86 ITGB3 (0.53) NR1H2NR1H3ITGB3ITGAVITGA2B
SCHEMBL382575 0.83 SMN1; SMN2 (0.36) NR1H2ITGB3ITGAVITGA2BLMNA
SCHEMBL382605 0.79 CASR (0.41) NR1H2ALKLMNAKCNH2KDM4E
SCHEMBL383113 0.78 ITGB3 (0.45) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL7860298 0.78 ITGB3 (0.51) 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 2 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 disclosed
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP disclosed