SCHEMBL6422792

SCHEMBL6422792

Cc1cc(C)c([N+]2(c3c(C)cc(C)cc3C)CCNC2OCc2ccccc2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.36
TACR1 P25103 13/20 0.34
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSK P43235 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31

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
SCHEMBL6425325 0.72
SCHEMBL1011972 0.66 TACR1 (0.43) CYP2C19TACR1CTSLCTSBCTSK
SCHEMBL10481838 0.61 MAPT (0.50) L3MBTL1HTR2AHTR7
SCHEMBL18012188 0.60 TSHR (0.35) CYP2C19CTSLCTSBCTSKBCHE
SCHEMBL7266634 0.58 LMNA (0.55) CYP2C19L3MBTL1
SCHEMBL2972388 0.58 TACR1 (0.46) CYP2C19TACR1CTSLCTSBCTSK
SCHEMBL8419308 0.57 MAPT (0.59) CYP2C19L3MBTL1
SCHEMBL9642571 0.57 CYP2C19 (0.43) CYP2C19CTSLCTSBCTSKBCHE
SCHEMBL2980241 0.57 CYP2C19 (0.46) CYP2C19TACR1
SCHEMBL27868072 0.57 CYP2C19 (0.46) CYP2C19TACR1

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
EP-1372844-A4 HIGH ACTIVITY METAL CARBENE METATHESIS CATALYSTS GENERATED USING A THERMALLY ACTIVATED N-HETEROCYCLIC CARBENE PRECURSOR CALIFORNIA INST OF TECHN (US) 2005-10-12 EP claimed
EP-1372844-A1 HIGH ACTIVITY METAL CARBENE METATHESIS CATALYSTS GENERATED USING A THERMALLY ACTIVATED N-HETEROCYCLIC CARBENE PRECURSOR California Institute of Technology (US) 2004-01-02 EP claimed
WO-2003097562-A2 HIGH ACTIVITY METAL CARBENE METATHESIS CATALYSTS GENERATED USING A THERMALLY ACTIVATED N-HETEROCYCLIC CARBENE PRECURSOR CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2003-11-27 WO claimed
WO-2002076613-A1 HIGH ACTIVITY METAL CARBENE METATHESIS CATALYSTS GENERATED USING A THERMALLY ACTIVATED N-HETEROCYCLIC CARBENE PRECURSOR CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2002-10-03 WO claimed