SCHEMBL4059909

SCHEMBL4059909

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.61
CNR2 P34972 6/20 0.61
ROCK1 Q13464 1/20 0.48
GUCY1A1 Q02108 2/20 0.41
GUCY1B1 Q02153 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTR3A P46098 3/20 0.41
KDM4E B2RXH2 1/20 0.41
APAF1 O14727 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL13691222 1.00 CNR1 (0.61) CNR1CNR2ROCK1GUCY1A1GUCY1B1
SCHEMBL13690929 0.88 CNR1 (0.75) CNR1CNR2ROCK1ALDH1A1HTR3A
SCHEMBL4053063 0.86 CNR1 (0.77) CNR1CNR2HTR3AKDM4E
SCHEMBL30473233 0.86 CNR1 (0.77) CNR1CNR2HTR3AKDM4E
SCHEMBL29993194 0.86 CNR1 (0.77) CNR1CNR2HTR3AKDM4E
SCHEMBL4052282 0.85 CNR1 (0.54) CNR1CNR2ROCK1GUCY1A1GUCY1B1
SCHEMBL4050831 0.84 CNR1 (0.64) CNR1CNR2ROCK1HTR3A
SCHEMBL13691230 0.84 CNR1 (0.61) CNR1CNR2ROCK1HTR3A
SCHEMBL4055963 0.84 CNR1 (0.61) CNR1CNR2ROCK1HTR3A
SCHEMBL4056691 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