SCHEMBL4056691

SCHEMBL4056691

NC(=O)[C@H](Cc1ccccc1)NC(=O)c1nn(CC2CCCCO2)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.61
CNR2 P34972 5/20 0.61
ROCK1 Q13464 1/20 0.46
PDE8B O95263 2/20 0.40
PIK3CD O00329 3/20 0.39
PIK3CA P42336 3/20 0.39
PIK3CB P42338 3/20 0.39
PIK3CG P48736 3/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OGFRL1 Q5TC84 1/20 0.39
HTR3A P46098 2/20 0.39
CAPN1 P07384 1/20 0.38
CTSB P07858 1/20 0.38

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
SCHEMBL13690893 1.00 CNR1 (0.61) CNR1CNR2ROCK1PDE8BPIK3CD
SCHEMBL13690923 0.86 CNR1 (0.70) CNR1CNR2OPRM1OPRD1OPRK1
SCHEMBL30641081 0.86 CNR1 (0.70) CNR1CNR2OPRM1OPRD1OPRK1
SCHEMBL4050989 0.86 CNR1 (0.70) CNR1CNR2OPRM1OPRD1OPRK1
SCHEMBL4052282 0.86 CNR1 (0.54) CNR1CNR2ROCK1PDE8BHTR3A
SCHEMBL13690537 0.85 CNR1 (0.64) CNR1CNR2ROCK1PIK3CDPIK3CA
SCHEMBL4048909 0.85 CNR1 (0.64) CNR1CNR2ROCK1PIK3CDPIK3CA
SCHEMBL13690929 0.84 CNR1 (0.75) CNR1CNR2ROCK1HTR3A
SCHEMBL13691222 0.83 CNR1 (0.61) CNR1CNR2ROCK1HTR3A
SCHEMBL4059909 0.83 CNR1 (0.61) CNR1CNR2ROCK1HTR3A

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