SCHEMBL7655239

SCHEMBL7655239

N[C@@H](CNC(=O)c1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
HTT P42858 2/20 0.44
ITGB3 P05106 3/20 0.44
ITGAV P06756 3/20 0.44
ITGA2B P08514 3/20 0.44
TSHR P16473 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2C Q14957 1/20 0.43
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 3/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL382676 0.86 ITGB3 (0.52) ITGB3ITGAVITGA2BTSHRSMN1; SMN2
SCHEMBL7653324 0.85 ITGB3 (0.46) KDM4EHTTITGB3ITGAVITGA2B
SCHEMBL7655263 0.82 DPP4 (0.42) KDM4EHTTTSHRSMN1; SMN2TP53
SCHEMBL7651633 0.82 NPC1 (0.55) KDM4EHTTITGB3ITGA2BTSHR
SCHEMBL7655212 0.82 ITGB3 (0.65) ITGB3ITGAVITGA2B
SCHEMBL7654471 0.82 ITGB3 (0.52) ITGB3ITGAVITGA2BTSHRSMN1; SMN2
SCHEMBL7651363 0.80 ITGB3 (0.51) ITGB3ITGAVITGA2BSMN1; SMN2ALDH1A1
SCHEMBL7655246 0.80 KDM4E (0.50) KDM4EHTTTSHRSMN1; SMN2ALDH1A1
SCHEMBL7651451 0.79 L3MBTL1 (0.53) KDM4EHTTTSHRSMN1; SMN2TP53
SCHEMBL7652791 0.79 ITGAV (0.54) ITGB3ITGAVITGA2B

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