SCHEMBL4597303

SCHEMBL4597303

CC(C)COC(=O)N1CCC(Nc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ HTT P42858 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ EPHX2 P34913 2/20 0.52
▸ MAPT P10636 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ MLNR O43193 2/20 0.51
▸ PHGDH O43175 2/20 0.49
▸ UBE2M P61081 2/20 0.48
▸ DCUN1D1 Q96GG9 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ TEAD1 P28347 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.45
▸ IDH2 P48735 1/20 0.45

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
Hydrochloric Acid SCHEMBL9311270 0.88 LMNA (0.66) LMNAKDM4EHTTUSP2MAPK1
SCHEMBL3810128 0.86 KDM4E (0.57) LMNAKDM4EHTTUSP2EPHX2
SCHEMBL3805407 0.83 KDM4E (0.55) LMNAKDM4EHTTUSP2MAPK1
SCHEMBL9310541 0.83 LMNA (0.59) LMNAKDM4EHTTUSP2MAPK1
SCHEMBL1704655 0.83 ALDH1A1 (0.60) LMNAKDM4EHTTUSP2MAPK1
SCHEMBL3919400 0.81 KDM4E (0.54) LMNAKDM4EHTTUSP2MAPT
SCHEMBL27712618 0.80 EPHX2 (0.59) LMNAHTTEPHX2MLNRPHGDH
SCHEMBL3913456 0.79 ALDH1A1 (0.59) LMNAKDM4EHTTMAPK1EPHX2
SCHEMBL3911906 0.78 KDM4E (0.47) LMNAKDM4EHTTUSP2MAPK1
SCHEMBL3914506 0.77 KDM4E (0.47) LMNAKDM4EHTTUSP2MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1907374-A2 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-04-09 — — EP disclosed
WO-2007012479-A2 BENZYLPIPERAZINE DERIVATES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2007-02-01 — — WO disclosed
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