SCHEMBL4051599

SCHEMBL4051599

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.40
ROCK1 Q13464 2/20 0.38
CNR2 P34972 5/20 0.37
KDM4C Q9H3R0 4/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
ROCK2 O75116 2/20 0.34
PLK1 P53350 1/20 0.34
HTR3A P46098 2/20 0.34
CFD P00746 1/20 0.32
KDM5A P29375 1/20 0.32
KDM5B Q9UGL1 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
SCHEMBL13690631 1.00 CNR1 (0.40) CNR1ROCK1CNR2KDM4CHTR2A
SCHEMBL4047930 0.95 CNR1 (0.41) CNR1ROCK1CNR2KDM4CHTR2A
SCHEMBL4052295 0.91 CNR1 (0.47) CNR1ROCK1CNR2KDM4CHTR2C
SCHEMBL13690569 0.91 CNR1 (0.47) CNR1ROCK1CNR2KDM4CHTR2C
SCHEMBL13690967 0.90 ROCK1 (0.46) CNR1ROCK1CNR2KDM4CPLK1
SCHEMBL4053150 0.90 ROCK1 (0.46) CNR1ROCK1CNR2KDM4CPLK1
SCHEMBL4059054 0.90 CNR1 (0.51) CNR1CNR2ROCK2HTR3A
SCHEMBL13691013 0.90 CNR1 (0.51) CNR1CNR2ROCK2HTR3A
SCHEMBL4058358 0.88 CNR1 (0.44) CNR1ROCK1CNR2KDM4CHTR2A
SCHEMBL4049364 0.87 CNR1 (0.42) CNR1ROCK1CNR2KDM4CHTR2A

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