SCHEMBL7658571

SCHEMBL7658571

O=C(O)CC(NC(=O)c1ccc(N2CCN(c3ncccn3)CC2)c(Cl)c1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.45
ITGAV P06756 2/20 0.45
ITGA2B P08514 2/20 0.45
CTSA P10619 1/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
MAPK1 P28482 2/20 0.40
P2RY12 Q9H244 1/20 0.39
NPY2R P49146 2/20 0.38
KDM4E B2RXH2 5/20 0.38
HTT P42858 2/20 0.38
F10 P00742 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.37
S1PR2 O95136 1/20 0.37
S1PR4 O95977 1/20 0.37
S1PR3 Q99500 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL7655229 0.90 ITGB3 (0.46) ITGB3ITGAVITGA2BSMN1; SMN2ALDH1A1
SCHEMBL7658105 0.87 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1MAPK1HTTKMT2A
SCHEMBL381839 0.87 ITGB3 (0.54) ITGB3ITGAVITGA2BCTSAP2RY12
SCHEMBL7654428 0.86 ITGB3 (0.48) ITGB3ITGAVITGA2BSMN1; SMN2ALDH1A1
SCHEMBL6496651 0.85 KAT6A (0.47) SMN1; SMN2ALDH1A1LMNAMAPK1P2RY12
SCHEMBL7657530 0.84 ITGB3 (0.55) ITGB3ITGAVITGA2BCTSAALDH1A1
SCHEMBL7652012 0.84 SMN1; SMN2 (0.41) ITGB3ITGA2BSMN1; SMN2ALDH1A1LMNA
SCHEMBL7658557 0.82 ITGB3 (0.65) ITGB3ITGAVITGA2B
SCHEMBL382329 0.79 ITGB3 (0.75) ITGB3ITGAVITGA2BCTSA
SCHEMBL7651960 0.79 ITGB3 (0.43) ITGB3ITGAVITGA2BSMN1; SMN2ALDH1A1

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