SCHEMBL7653683

SCHEMBL7653683

O=C(CCNC(=O)c1ccc(N2CCN(c3ncccn3)CC2)cc1F)ONS(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
HTT P42858 1/20 0.44
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 0.41
ITGA2B P08514 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
PTGDR Q13258 1/20 0.37
USP2 O75604 1/20 0.37
GFER P55789 1/20 0.37
DRD2 P14416 1/20 0.37
DRD1 P21728 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
SCHEMBL7654380 0.90 DRD2 (0.44) KDM4EHTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL7658795 0.87 KDM4E (0.55) KDM4EHTTITGB3ITGA2BSMN1; SMN2
SCHEMBL7463691 0.86 KDM4E (0.52) KDM4EHTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL7657964 0.84 KDM4E (0.52) KDM4EHTTITGB3ITGA2BSMN1; SMN2
SCHEMBL7655214 0.84 KDM4E (0.48) KDM4EHTTITGB3ITGAVITGA2B
SCHEMBL7053630 0.83 ITGB3 (0.55) KDM4EITGB3ITGAVITGA2BSMN1; SMN2
SCHEMBL7469099 0.80 KAT6A (0.41) ITGB3ITGAVITGA2BSMN1; SMN2ALDH1A1
SCHEMBL7651943 0.80 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL7654144 0.79 CA1 (0.43) KDM4EHTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL7658560 0.79 KDM4E (0.48) KDM4EHTTITGB3ITGAVITGA2B

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