SCHEMBL4052282

SCHEMBL4052282

NC(=O)[C@@H](NC(=O)c1nn(CC2CCCCO2)c2ccccc12)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.54
ROCK1 Q13464 1/20 0.47
CNR2 P34972 4/20 0.43
PDE8B O95263 2/20 0.40
HTR3A P46098 4/20 0.40
GUCY1A1 Q02108 2/20 0.39
GUCY1B1 Q02153 2/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 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 0.86 CNR1 (0.61) CNR1ROCK1CNR2PDE8BHTR3A
SCHEMBL4056691 0.86 CNR1 (0.61) CNR1ROCK1CNR2PDE8BHTR3A
SCHEMBL13690929 0.85 CNR1 (0.75) CNR1ROCK1CNR2HTR3AMAPK1
SCHEMBL13691222 0.85 CNR1 (0.61) CNR1ROCK1CNR2HTR3AGUCY1A1
SCHEMBL4059909 0.85 CNR1 (0.61) CNR1ROCK1CNR2HTR3AGUCY1A1
SCHEMBL15882210 0.81 ROCK1 (0.49) CNR1ROCK1CNR2PDE8BGUCY1A1
SCHEMBL17324589 0.78 ROCK1 (0.49) CNR1ROCK1CNR2GUCY1A1GUCY1B1
SCHEMBL31429237 0.78 ROCK1 (0.52) CNR1ROCK1CNR2TSHRMAPK1
SCHEMBL15897894 0.78 ROCK1 (0.52) CNR1ROCK1CNR2TSHRMAPK1
SCHEMBL31429545 0.78 ROCK1 (0.52) CNR1ROCK1CNR2TSHRMAPK1

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