SCHEMBL4655448

SCHEMBL4655448

COc1ccc(-c2nc(COC3CCN(C(=O)O)CC3)no2)cc1C#N

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 17/20 0.53
S1PR3 Q99500 1/20 0.43
SMPD1 P17405 1/20 0.42
F11 P03951 1/20 0.41
TBK1 Q9UHD2 1/20 0.41

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
SCHEMBL4551027 0.89 GPR119 (0.49) S1PR1TBK1
SCHEMBL5133256 0.81 USP30 (0.41) S1PR1TBK1
SCHEMBL4414174 0.78 GPR119 (0.49) TBK1
SCHEMBL14640963 0.76 ROCK2 (0.45) S1PR1TBK1
SCHEMBL13602311 0.76 GPR119 (0.51) SMPD1
SCHEMBL4416009 0.76 CHRM2 (0.37) S1PR1SMPD1
SCHEMBL4412893 0.75 SPHK1 (0.47)
SCHEMBL4414082 0.74 KCNH2 (0.39) S1PR1SMPD1
SCHEMBL4424803 0.74 SPHK1 (0.46) S1PR1SMPD1
SCHEMBL4422335 0.73 PTGS2 (0.51)

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-1907383-A1 GPCR AGONISTS Prosidion Limited (GB) 2008-04-09 EP disclosed
WO-2007003960-A1 GPCR AGONISTS PROSIDION LIMITED (GB) 2007-01-11 WO disclosed