SCHEMBL383437

SCHEMBL383437

CC(C)(C)N(OC(=O)CCNC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1)S(=O)(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.47
ITGAV P06756 7/20 0.47
ITGA2B P08514 7/20 0.47
VDR P11473 1/20 0.38
SLC6A9 P48067 3/20 0.36
LMNA P02545 1/20 0.34
SFRP1 Q8N474 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPY2R P49146 1/20 0.33
MTTP P55157 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
HTR2B P41595 1/20 0.33
NPY5R Q15761 1/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL382456 0.96 ITGB3 (0.47) ITGB3ITGAVITGA2BVDRSLC6A9
SCHEMBL383012 0.91 ITGB3 (0.46) ITGB3ITGAVITGA2BHTR1AADRA2A
SCHEMBL6497814 0.90 ITGB3 (0.41) ITGB3ITGAVITGA2BVDRHTR1A
SCHEMBL382332 0.90 ITGB3 (0.37) ITGB3ITGAVITGA2BSLC6A9LMNA
SCHEMBL383095 0.88 ITGB3 (0.46) ITGB3ITGAVITGA2BNPY2RADRA2A
SCHEMBL382188 0.87 ITGB3 (0.49) ITGB3ITGAVITGA2BHTR1AADRA2A
SCHEMBL382297 0.86 ITGB3 (0.44) ITGB3ITGAVITGA2BLMNAHTR1A
SCHEMBL382653 0.85 ITGB3 (0.58) ITGB3ITGAVITGA2BVDRSLC6A9
SCHEMBL383158 0.85 ITGB3 (0.44) ITGB3ITGAVITGA2BLMNAGAA
SCHEMBL382643 0.84 ITGB3 (0.52) ITGB3ITGAVITGA2BVDRSLC6A9

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 1 patent. 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