SCHEMBL4058358

SCHEMBL4058358

CC(C)(C)[C@H](NC(=O)c1nn(CC2CCC(F)(F)CC2)c2ccc(F)cc12)C(=O)NCC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.44
CNR2 P34972 6/20 0.39
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
KDM4C Q9H3R0 4/20 0.36
ROCK1 Q13464 1/20 0.36
CFD P00746 2/20 0.35
PLK1 P53350 1/20 0.34
HTR3A P46098 1/20 0.33
KDM5A P29375 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL4055448 0.91 CNR1 (0.52) CNR1CNR2HTR2AHTR2CSLC6A4
SCHEMBL4053385 0.90 CNR1 (0.50) CNR1CNR2HTR2AHTR2CSLC6A4
SCHEMBL4047930 0.90 CNR1 (0.41) CNR1CNR2HTR2AHTR2CSLC6A4
SCHEMBL13690962 0.90 ROCK1 (0.43) CNR1CNR2KDM4CROCK1HTR3A
SCHEMBL4049829 0.90 ROCK1 (0.43) CNR1CNR2KDM4CROCK1HTR3A
SCHEMBL13690975 0.90 CNR1 (0.56) CNR1CNR2CFDHTR3A
SCHEMBL13690631 0.88 CNR1 (0.40) CNR1CNR2HTR2AHTR2CSLC6A4
SCHEMBL4051599 0.88 CNR1 (0.40) CNR1CNR2HTR2AHTR2CSLC6A4
SCHEMBL4049364 0.88 CNR1 (0.42) CNR1CNR2HTR2AHTR2CSLC6A4
SCHEMBL4050200 0.85 CNR1 (0.43) CNR1CNR2HTR2AHTR2CSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO claimed
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed