SCHEMBL4055909

SCHEMBL4055909

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.49
CNR2 P34972 8/20 0.49
ROCK1 Q13464 3/20 0.46
KDM4C Q9H3R0 3/20 0.40
HTR3A P46098 2/20 0.37
GRM4 Q14833 1/20 0.37
SLC2A1 P11166 1/20 0.37
SLC2A2 P11168 1/20 0.37
SLC2A3 P11169 1/20 0.37

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
SCHEMBL4058109 0.93 CNR1 (0.49) CNR1CNR2ROCK1HTR3AGRM4
SCHEMBL13691249 0.91 CNR1 (0.59) CNR1CNR2ROCK1KDM4C
SCHEMBL4050445 0.91 CNR1 (0.59) CNR1CNR2ROCK1KDM4C
SCHEMBL13690992 0.90 CNR1 (0.49) CNR1CNR2ROCK1KDM4C
SCHEMBL4056764 0.90 CNR1 (0.49) CNR1CNR2ROCK1KDM4C
SCHEMBL4049829 0.90 ROCK1 (0.43) CNR1CNR2ROCK1KDM4CHTR3A
SCHEMBL13690962 0.90 ROCK1 (0.43) CNR1CNR2ROCK1KDM4CHTR3A
SCHEMBL4059913 0.89 ROCK1 (0.43) CNR1CNR2ROCK1KDM4CHTR3A
SCHEMBL13690981 0.89 ROCK1 (0.43) CNR1CNR2ROCK1KDM4CHTR3A
SCHEMBL4053385 0.89 CNR1 (0.50) CNR1CNR2ROCK1KDM4C

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