SCHEMBL6569398

SCHEMBL6569398

CCCc1cc[c]c(C)c1CCCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SIGMAR1 Q99720 3/20 0.37
HTR2A P28223 1/20 0.37
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL817068 0.83 NOS2 (0.32)
SCHEMBL817129 0.78 TYR (0.36) TLR8MEN1KMT2A
SCHEMBL983797 0.76 TYR (0.40) KCNH2CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL982648 0.75 TYR (0.42) KCNH2CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL10645434 0.75 TYR (0.42) KCNH2CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL10496859 0.74 NOS2 (0.32)
SCHEMBL6546189 0.74 KCNH2 (0.48) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL6569440 0.73 HTR2A (0.41) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL7056075 0.73 TYR (0.41) KCNH2CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL7554815 0.72 HSD11B1 (0.38) KCNH2CHRM2HTR1AADRA2ACHRM1

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-1404325-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2004-04-07 EP disclosed
WO-2002096420-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2002-12-05 WO disclosed