SCHEMBL4053265

SCHEMBL4053265

CC(C)(C)[C@H](NC(=O)c1nn(CC2CCOCC2)c2ccccc12)C(=O)NC1CC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.54
HTR4 Q13639 7/20 0.49
CNR2 P34972 2/20 0.49
HTR3A P46098 7/20 0.49
CYP3A4 P08684 1/20 0.47
ROCK1 Q13464 3/20 0.42
ROCK2 O75116 1/20 0.42

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
SCHEMBL4050703 0.96 CNR1 (0.54) CNR1HTR4CNR2HTR3ACYP3A4
SCHEMBL4050767 0.91 CNR1 (0.65) CNR1HTR4CNR2HTR3AROCK2
SCHEMBL4048901 0.91 CNR1 (0.65) CNR1HTR4CNR2HTR3AROCK2
SCHEMBL4053133 0.89 CNR1 (0.57) CNR1HTR4CNR2HTR3ACYP3A4
SCHEMBL13691257 0.89 CNR1 (0.57) CNR1HTR4CNR2HTR3ACYP3A4
SCHEMBL13690926 0.89 CNR1 (0.42) CNR1HTR4CNR2HTR3ACYP3A4
SCHEMBL4051939 0.89 CNR1 (0.42) CNR1HTR4CNR2HTR3ACYP3A4
SCHEMBL4052409 0.89 CNR1 (0.53) CNR1HTR4CNR2HTR3ACYP3A4
SCHEMBL4050831 0.88 CNR1 (0.64) CNR1HTR4CNR2HTR3ACYP3A4
SCHEMBL13690608 0.88 ROCK1 (0.43) CNR1HTR4CNR2HTR3ACYP3A4

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 claimed