SCHEMBL7653514

SCHEMBL7653514

Cc1cc(C)c(S(=O)(=O)NC(CC(=O)OC(C)(C)C)NC(=O)c2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
NR3C1 P04150 2/20 0.35
NR3C2 P08235 2/20 0.35
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
ITGA2B P08514 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 3/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 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
SCHEMBL7652796 0.90 PKM (0.38) LMNAHTTSMN1; SMN2KDM4EITGB3
SCHEMBL7653508 0.84 ITGAV (0.43) LMNANR3C1NR3C2ITGB3ITGAV
SCHEMBL7652791 0.79 ITGAV (0.54) ITGB3ITGAVITGA2B
SCHEMBL7655229 0.78 ITGB3 (0.46) LMNASMN1; SMN2ITGB3ITGAVITGA2B
SCHEMBL7658791 0.77 ITGB3 (0.44) ITGB3ITGAVITGA2BTSHRMAPT
SCHEMBL6499026 0.77 ITGB3 (0.37) NR3C1NR3C2ITGB3ITGAVITGA2B
SCHEMBL382346 0.75 ITGB3 (0.46) LMNAHTTSMN1; SMN2ITGB3ITGAV
SCHEMBL7653366 0.72 MAPT (0.42) LMNASMN1; SMN2TSHRMAPTNPC1
SCHEMBL7655263 0.70 DPP4 (0.42) LMNAHTTSMN1; SMN2KDM4EL3MBTL1
SCHEMBL7860398 0.69 SMN1; SMN2 (0.36) LMNAHTTSMN1; SMN2ITGB3ITGAV

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 3 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
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