SCHEMBL5596785

SCHEMBL5596785

CNCCNC1CCC(N2CCc3cncc4cccc2c34)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.38
ROCK1 Q13464 3/20 0.38
CARM1 Q86X55 2/20 0.34
PRMT6 Q96LA8 2/20 0.34
PRMT8 Q9NR22 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
NOS1 P29475 4/20 0.32
NOS2 P35228 3/20 0.32
GPBAR1 Q8TDU6 3/20 0.32
NOS3 P29474 2/20 0.32
SLC6A2 P23975 1/20 0.32
KCNH2 Q12809 1/20 0.32
DRD2 P14416 1/20 0.30

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
SCHEMBL5420227 0.95 ROCK2 (0.36) ROCK2ROCK1CARM1PRMT6PRMT8
SCHEMBL5596581 0.95 ROCK2 (0.36) ROCK2ROCK1CARM1PRMT6PRMT8
SCHEMBL5596659 0.90 ROCK2 (0.36) ROCK2ROCK1OPRM1OPRD1OPRK1
SCHEMBL5415719 0.89 ROCK2 (0.36) ROCK2ROCK1OPRM1OPRD1OPRK1
SCHEMBL5410280 0.89 ROCK2 (0.36) ROCK2ROCK1OPRM1OPRD1OPRK1
SCHEMBL5407101 0.89 VCP (0.37) ROCK2ROCK1OPRM1OPRD1OPRK1
SCHEMBL5419735 0.88 NOS1 (0.40) ROCK2ROCK1OPRM1OPRD1OPRK1
SCHEMBL5415749 0.88 ROCK2 (0.35) ROCK2ROCK1OPRM1OPRD1OPRK1
SCHEMBL5417474 0.88 ROCK2 (0.35) ROCK2ROCK1OPRM1OPRD1OPRK1
SCHEMBL5596706 0.87 ROCK2 (0.34) ROCK2ROCK1GPBAR1DRD2

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
EP-1632492-A1 TRICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2006-03-08 EP claimed
EP-1829876-A1 NITROGENEOUS TRICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2007-09-05 EP disclosed