SCHEMBL4050830

SCHEMBL4050830

CC(C)(C)[C@H](NC(=O)c1nn(CC2CCOCC2)c2cc(F)ccc12)C(=O)NC[C@@H](O)CO

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 4/20 0.44
CNR1 P21554 6/20 0.39
GRM4 Q14833 5/20 0.37
CNR2 P34972 5/20 0.36
RBP4 P02753 1/20 0.36
HTR4 Q13639 3/20 0.35
CYP3A4 P08684 1/20 0.34
SLC2A1 P11166 1/20 0.34
SLC2A2 P11168 1/20 0.34
SLC2A3 P11169 1/20 0.34

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
SCHEMBL13690617 1.00 ROCK1 (0.44) ROCK1CNR1GRM4CNR2RBP4
SCHEMBL4053793 0.90 ROCK1 (0.47) ROCK1CNR1GRM4CNR2HTR4
SCHEMBL13690641 0.90 ROCK1 (0.47) ROCK1CNR1GRM4CNR2HTR4
SCHEMBL13691253 0.89 CNR1 (0.50) ROCK1CNR1CNR2HTR4CYP3A4
SCHEMBL4050619 0.89 CNR1 (0.50) ROCK1CNR1CNR2HTR4CYP3A4
SCHEMBL13690681 0.89 ROCK1 (0.44) ROCK1CNR1GRM4CNR2RBP4
SCHEMBL4048235 0.89 ROCK1 (0.44) ROCK1CNR1GRM4CNR2RBP4
SCHEMBL13691270 0.88 ROCK1 (0.46) ROCK1CNR1GRM4CNR2HTR4
SCHEMBL13690669 0.88 ROCK1 (0.44) ROCK1CNR1GRM4CNR2RBP4
SCHEMBL4056281 0.88 ROCK1 (0.43) ROCK1CNR1GRM4CNR2HTR4

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