SCHEMBL4052295

SCHEMBL4052295

CC(C)(C)[C@H](NC(=O)c1nn(CC2CCCCC2)c2ccc(F)cc12)C(=O)NCCCO

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.47
KDM4C Q9H3R0 3/20 0.41
ROCK1 Q13464 2/20 0.39
CNR2 P34972 3/20 0.38
P2RX7 Q99572 1/20 0.36
ROCK2 O75116 2/20 0.35
HTR3A P46098 1/20 0.34
PER2 O15055 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
PLK1 P53350 1/20 0.33

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
SCHEMBL13690569 1.00 CNR1 (0.47) CNR1KDM4CROCK1CNR2P2RX7
SCHEMBL13691250 0.95 CNR1 (0.49) CNR1KDM4CROCK1CNR2P2RX7
SCHEMBL4051688 0.95 CNR1 (0.49) CNR1KDM4CROCK1CNR2P2RX7
SCHEMBL4053150 0.92 ROCK1 (0.46) CNR1KDM4CROCK1CNR2HTR3A
SCHEMBL13690967 0.92 ROCK1 (0.46) CNR1KDM4CROCK1CNR2HTR3A
SCHEMBL13690631 0.91 CNR1 (0.40) CNR1KDM4CROCK1CNR2ROCK2
SCHEMBL4051599 0.91 CNR1 (0.40) CNR1KDM4CROCK1CNR2ROCK2
SCHEMBL13690575 0.89 CNR1 (0.46) CNR1CNR2ROCK2HTR3AALDH1A1
SCHEMBL4052062 0.89 CNR1 (0.49) CNR1KDM4CROCK1CNR2P2RX7
SCHEMBL4052498 0.89 CNR1 (0.49) CNR1KDM4CROCK1CNR2P2RX7

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