SCHEMBL8938650

SCHEMBL8938650

O=c1[nH]ccc2cc(OC3CCN(CC4CCCCC4)CC3)ccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 12/20 0.61
ROCK2 O75116 3/20 0.61
PRKCD Q05655 2/20 0.61
PRKACA P17612 1/20 0.61
PRKG1 Q13976 1/20 0.61
PKN1 Q16512 1/20 0.61
PKN2 Q16513 1/20 0.61
AAK1 Q2M2I8 1/20 0.61
CDC42BPA Q5VT25 1/20 0.61
Q6ZSR9 Q6ZSR9 1/20 0.61
BMP2K Q9NSY1 1/20 0.61
CDC42BPB Q9Y5S2 1/20 0.61
PRKX P51817 1/20 0.56
PRKCE Q02156 1/20 0.56
PRKD1 Q15139 1/20 0.56
MAP2K1 Q02750 1/20 0.51
HRH3 Q9Y5N1 1/20 0.49
ACHE P22303 3/20 0.45
HTR4 Q13639 3/20 0.45
OPRK1 P41145 1/20 0.43

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
SCHEMBL4148958 0.94 ROCK1 (0.65) ROCK1ROCK2PRKCDPRKACAPRKG1
SCHEMBL8934896 0.90 ROCK1 (0.73) ROCK1ROCK2PRKCDPRKACAPRKG1
SCHEMBL8938643 0.89 ROCK1 (0.58) ROCK1ROCK2PRKCDPRKACAPRKG1
SCHEMBL4002397 0.89 ROCK1 (0.56) ROCK1ROCK2PRKCDPRKACAPRKG1
SCHEMBL8938952 0.87 ROCK1 (0.57) ROCK1ROCK2PRKCDPRKACAPRKG1
SCHEMBL8935750 0.86 MAP2K1 (0.64) ROCK1ROCK2PRKCDPRKACAPRKG1
SCHEMBL8934900 0.85 ROCK1 (0.63) ROCK1ROCK2PRKCDPRKACAPRKG1
SCHEMBL8934734 0.84 ROCK1 (0.66) ROCK1ROCK2PRKCDPRKACAPRKG1
SCHEMBL8936129 0.84 ROCK1 (0.59) ROCK1ROCK2PRKCDPRKACAPRKG1
SCHEMBL4008562 0.82 ROCK1 (0.63) ROCK1ROCK2PRKCDPRKACAPRKG1

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