SCHEMBL7653324

SCHEMBL7653324

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.46
ITGAV P06756 3/20 0.46
ITGA2B P08514 3/20 0.46
NPY2R P49146 1/20 0.46
MTTP P55157 1/20 0.46
MAPT P10636 7/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 5/20 0.41
TSHR P16473 4/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 2/20 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
SCHEMBL7655239 0.85 KDM4E (0.44) ITGB3ITGAVITGA2BMAPTLMNA
SCHEMBL7655212 0.84 ITGB3 (0.65) ITGB3ITGAVITGA2B
SCHEMBL7655184 0.82 ITGB3 (0.55) ITGB3ITGAVITGA2BNPY2RMTTP
SCHEMBL7652791 0.82 ITGAV (0.54) ITGB3ITGAVITGA2B
SCHEMBL7651363 0.82 ITGB3 (0.51) ITGB3ITGAVITGA2BMAPTLMNA
SCHEMBL7653366 0.81 MAPT (0.42) NPY2RMTTPMAPTLMNAMEN1
SCHEMBL7661950 0.77 KDM4E (0.47) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL7651451 0.76 L3MBTL1 (0.53) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL7651419 0.75 ITGB3 (0.59) ITGB3ITGAVITGA2B
SCHEMBL7651403 0.75 ITGB3 (0.57) 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