SCHEMBL7651445

SCHEMBL7651445

CC(C)(C)OC(=O)NC(CC(=O)O)NC(=O)c1ccc(N2CCN(C3=NCCCN3)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ITGB3 P05106 5/20 0.36
ITGA2B P08514 3/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
ITGAV P06756 4/20 0.36
SCN9A Q15858 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GCGR P47871 1/20 0.33
GAA P10253 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
AURKA O14965 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
SCHEMBL7652723 0.85 ITGB3 (0.46) SMN1; SMN2ITGB3ITGA2BLMNAITGAV
SCHEMBL7651433 0.84 ITGB3 (0.48) JAK2JAK1JAK3SMN1; SMN2KMT2A
SCHEMBL7658395 0.82 HDAC1 (0.39) JAK2JAK1JAK3SMN1; SMN2ITGB3
SCHEMBL7658323 0.81 JAK2 (0.41) JAK2JAK1JAK3ITGB3ITGA2B
SCHEMBL7651202 0.79 ITGB3 (0.53) JAK2JAK1JAK3ITGB3ITGA2B
SCHEMBL7655618 0.74 ITGB3 (0.42) SMN1; SMN2KMT2ANPSR1ITGB3ITGA2B
SCHEMBL7655207 0.73 ITGB3 (0.42) KMT2AMEN1NPSR1ITGB3ITGA2B
SCHEMBL7658303 0.71 ITGB3 (0.49) JAK2JAK1JAK3SMN1; SMN2KMT2A
SCHEMBL382506 0.71 ITGB3 (0.55) ITGB3ITGA2BITGAV
SCHEMBL6505653 0.71 ITGB3 (0.48) ITGB3ITGA2BITGAVAURKA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6451800-B1 Phenylpiperazine derivatives as integrin αvβ3 antagonists MEIJI SEIKA KAISHA, LTD. (JP) 2002-09-17 US claimed
EP-1057818-A1 PHENYLPIPERAZINE DERIVATIVES AS INTEGRIN ALPHAvBETA3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2000-12-06 EP claimed
US-6451800-B1 Phenylpiperazine derivatives as integrin αvβ3 antagonists MEIJI SEIKA KAISHA, LTD. (JP) 2002-09-17 US disclosed
EP-1057818-A1 PHENYLPIPERAZINE DERIVATIVES AS INTEGRIN ALPHAvBETA3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2000-12-06 EP disclosed