SCHEMBL4055157

SCHEMBL4055157

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

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.52
CNR2 P34972 2/20 0.48
ROCK1 Q13464 5/20 0.45
HTR3A P46098 3/20 0.45
HTR4 Q13639 5/20 0.44
CYP3A4 P08684 1/20 0.44
ROCK2 O75116 5/20 0.43
KCNH2 Q12809 1/20 0.41
SSTR4 P31391 1/20 0.40

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
SCHEMBL4052516 0.95 CNR1 (0.51) CNR1CNR2ROCK1HTR3AHTR4
SCHEMBL13691030 0.91 CNR1 (0.63) CNR1CNR2HTR3AHTR4ROCK2
SCHEMBL4054508 0.91 CNR1 (0.63) CNR1CNR2HTR3AHTR4ROCK2
SCHEMBL4050611 0.91 CNR1 (0.63) CNR1CNR2HTR3AHTR4ROCK2
SCHEMBL13690579 0.91 CNR1 (0.54) CNR1CNR2ROCK1HTR3AHTR4
SCHEMBL4056500 0.91 CNR1 (0.54) CNR1CNR2ROCK1HTR3AHTR4
SCHEMBL13691251 0.90 CNR1 (0.52) CNR1CNR2ROCK1HTR3AHTR4
SCHEMBL4050617 0.90 CNR1 (0.52) CNR1CNR2ROCK1HTR3AHTR4
SCHEMBL4056332 0.90 CNR1 (0.52) CNR1CNR2ROCK1HTR3AHTR4
SCHEMBL13690689 0.90 CNR1 (0.52) CNR1CNR2ROCK1HTR3AHTR4

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