SCHEMBL8939223

SCHEMBL8939223

CC(C)CN1CCC(Oc2ccc3c(O)nccc3c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.53
ROCK1 Q13464 7/20 0.52
NAMPT P43490 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ROCK2 O75116 3/20 0.42
KCNH2 Q12809 2/20 0.42
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
DRD2 P14416 4/20 0.40
DRD4 P21917 4/20 0.40
DRD3 P35462 3/20 0.40
LNPEP Q9UIQ6 1/20 0.38
CCR2 P41597 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
SCHEMBL8939214 0.87 ROCK1 (0.54) HRH3ROCK1MEN1KMT2AROCK2
SCHEMBL14981035 0.83 ROCK1 (0.49) HRH3ROCK1ROCK2KCNH2LNPEP
SCHEMBL8939216 0.83 MAOA (0.53) HRH3ROCK1ROCK2KCNH2
SCHEMBL8148282 0.82 ROCK1 (0.57) ROCK1ROCK2KCNH2
SCHEMBL12192815 0.79 HRH3 (0.56) HRH3ROCK1NAMPTMEN1KMT2A
SCHEMBL12211290 0.76 ROCK1 (0.54) ROCK1ROCK2KCNH2
Sar-407899 Free Base SCHEMBL8934240 0.76 ROCK1 (0.72) HRH3ROCK1ROCK2KCNH2
SCHEMBL8934755 0.76 ROCK1 (0.62) HRH3ROCK1MEN1KMT2AROCK2
SCHEMBL12193225 0.75 NAMPT (0.47) HRH3ROCK1NAMPTMEN1KMT2A
SCHEMBL4006463 0.74 ROCK1 (0.72) HRH3ROCK1MEN1KMT2AROCK2

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
US-8188117-B2 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
US-8188117-B2 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2012-05-29 US disclosed