SCHEMBL5685243

SCHEMBL5685243

CCCC1CCc2c(ccc3c2CCC(c2ccc(Cl)cc2)C3)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.44
SLC6A3 Q01959 1/20 0.39
SRD5A1 P18405 2/20 0.37
CYP2C9 P11712 1/20 0.35
DRD3 P35462 3/20 0.35
LSS P48449 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C8 P10632 1/20 0.34
S1PR3 Q99500 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
MCHR1 Q99705 3/20 0.33
FYN P06241 1/20 0.33

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
SCHEMBL5684932 0.86 CYP2C9 (0.35) DRD2CYP2C9DRD3CYP3A4CYP2C8
SCHEMBL5687177 0.84 S1PR1 (0.36) DRD2SRD5A1LSSL3MBTL1MCHR1
SCHEMBL5687195 0.84 S1PR1 (0.36) DRD2SRD5A1LSSL3MBTL1MCHR1
SCHEMBL5687178 0.84 S1PR1 (0.36) DRD2SRD5A1LSSL3MBTL1MCHR1
SCHEMBL5687190 0.84 S1PR1 (0.36) DRD2SRD5A1LSSL3MBTL1MCHR1
SCHEMBL5686400 0.83 SGPL1 (0.34) DRD2SRD5A1LSSL3MBTL1
SCHEMBL5684380 0.83 DRD2 (0.39) DRD2CYP2C9DRD3CYP3A4CYP2C8
SCHEMBL5686403 0.83 SGPL1 (0.34) DRD2SRD5A1LSSL3MBTL1
SCHEMBL5687262 0.83 HTR1D (0.38) DRD2DRD3CYP3A4CYP2C8S1PR3
SCHEMBL5683979 0.83 MEN1 (0.34) DRD2CYP2C9DRD3CYP3A4CYP2C8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067179-B1 Fused ring compound DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-06-27 US disclosed
EP-1201632-B1 FUSED RING COMPOUND DAINIPPON INK & CHEMICALS (JP) 2006-03-29 EP disclosed
EP-1201632-A1 FUSED RING COMPOUND DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-05-02 EP disclosed