SCHEMBL7909741

SCHEMBL7909741

NC(=O)C[C@H](NC(=O)c1cccc(NC(=O)CN2CCNCC2=O)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.41
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
HTT P42858 1/20 0.40
ITGB2 P05107 2/20 0.39
ICAM1 P05362 2/20 0.39
ITGAL P20701 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CA2 P00918 3/20 0.39
CA1 P00915 2/20 0.39
F3 P13726 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
ITGA2 P17301 1/20 0.37
TMPRSS15 P98073 1/20 0.36
MAP4K4 O95819 1/20 0.36
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 1/20 0.36
CCNC P24863 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
SCHEMBL7909731 0.94 ITGB3 (0.43) F10ITGB3ITGA2BHTTALDH1A1
SCHEMBL7900146 0.82 ITGB3 (0.42) F10ITGB3ITGA2BHTTITGB2
SCHEMBL7913422 0.81 HTT (0.53) HTTALDH1A1
SCHEMBL7909444 0.80 HTT (0.45) ITGB3HTTALDH1A1ITGA2LMNA
SCHEMBL7900135 0.79 ITGB3 (0.48) F10ITGB3ITGA2BHTTALDH1A1
SCHEMBL7909451 0.79 ITGB3 (0.53) ITGB3ITGA2BHTTITGA2
SCHEMBL8382626 0.77 EPHX2 (0.48) ITGB3ITGA2BHTTITGA2LMNA
SCHEMBL7907914 0.75 GAA (0.45) ITGB3HTTALDH1A1ITGA2LMNA
SCHEMBL9339557 0.70 ITGB3 (0.66) F10ITGB3ITGA2BITGB2ICAM1
SCHEMBL8386550 0.69 CASP1 (0.41) F10ITGB3ITGA2BALDH1A1

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-0608759-B1 Piperazine derivatives MERCK PATENT GMBH (DE) 2001-08-22 EP disclosed
EP-0608759-A2 Piperazinderivatives MERCK PATENT GmbH (DE) 1994-08-03 EP disclosed