SCHEMBL6166813

SCHEMBL6166813

CCCCOC(=O)ON1CCC(c2nc(-c3ccc(OC)cc3)c[nH]2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.41
HTR2B P41595 1/20 0.38
HTT P42858 2/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
DRD2 P14416 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 4/20 0.35
FLT3 P36888 1/20 0.35
TYRO3 Q06418 1/20 0.35

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
SCHEMBL6167911 0.91 L3MBTL1 (0.37) HTR2BALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL6166850 0.90 HRH2 (0.35) MIFHTR2BKDM4EMAPTSMN1; SMN2
SCHEMBL6167913 0.89 TRPC6 (0.34) POLBMAPTHRH2HRH1
SCHEMBL6164853 0.87 HTT (0.46) MIFHTR2BHTTCYP1A2POLB
SCHEMBL6168913 0.81 KDM4E (0.41) HTR2BALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL6166739 0.80 CHRM2 (0.37) ALDH1A1KDM4EL3MBTL1
SCHEMBL6166218 0.80 KDM4E (0.36) HTTCYP1A2POLBCYP3A4CYP2D6
SCHEMBL6168935 0.78 HTR2B (0.48) HTR2BHTTPOLBALDH1A1HPGD
SCHEMBL6166994 0.77 KDM4E (0.46) ALDH1A1HPGDKDM4E
SCHEMBL6165607 0.76 HRH2 (0.45) HTTPOLBALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1349850-B1 SODIUM CHANNEL MODULATORS DERIVED FROM 2-PIPERIDYLIMIDAZOLES SOD CONSEILS RECH APPLIC (FR) 2005-09-07 EP claimed