SCHEMBL4047764

SCHEMBL4047764

CC(C)[C@H](NC(=O)c1nn(CC2CCOCC2)c2ccc(Cl)cc12)C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.64
CNR2 P34972 4/20 0.48
KDM4C Q9H3R0 1/20 0.40
NR3C1 P04150 1/20 0.39
HTR4 Q13639 4/20 0.39
CYP3A4 P08684 1/20 0.39
ROCK1 Q13464 2/20 0.37
ROCK2 O75116 1/20 0.37
RET P07949 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL13690995 1.00 CNR1 (0.64) CNR1CNR2KDM4CNR3C1HTR4
SCHEMBL13690992 0.88 CNR1 (0.49) CNR1CNR2KDM4CNR3C1HTR4
SCHEMBL4056764 0.88 CNR1 (0.49) CNR1CNR2KDM4CNR3C1HTR4
SCHEMBL13690513 0.88 CNR1 (0.82) CNR1CNR2HTR4CYP3A4ROCK1
SCHEMBL13691256 0.84 CNR1 (0.44) CNR1CNR2KDM4CNR3C1HTR4
SCHEMBL4052156 0.84 CNR1 (0.44) CNR1CNR2KDM4CNR3C1HTR4
SCHEMBL4052192 0.82 CNR1 (0.44) CNR1CNR2KDM4CNR3C1HTR4
SCHEMBL13691001 0.82 CNR1 (0.44) CNR1CNR2KDM4CNR3C1HTR4
SCHEMBL4048415 0.81 CNR1 (0.72) CNR1CNR2HTR4CYP3A4ROCK1
SCHEMBL13691219 0.81 CNR1 (0.72) CNR1CNR2HTR4CYP3A4ROCK1

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
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