SCHEMBL13013263

SCHEMBL13013263

Cc1c2c(nn1-c1nnc(-c3ccc(OC(C)C)c(N)c3)s1)CCN(C(=O)CNC(=O)OC(C)(C)C)C2

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.54
S1PR5 Q9H228 1/20 0.54
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
C5AR1 P21730 5/20 0.36

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
SCHEMBL2605446 0.91 S1PR1 (0.67) S1PR1S1PR5
SCHEMBL13012924 0.87 S1PR1 (0.60) S1PR1S1PR5DPP4DPP8DPP9
SCHEMBL13013304 0.87 S1PR1 (0.56) S1PR1S1PR5DPP4DPP8DPP9
SCHEMBL13013302 0.87 S1PR1 (0.56) S1PR1S1PR5DPP4DPP8DPP9
SCHEMBL2606673 0.84 S1PR1 (0.67) S1PR1S1PR5C5AR1
SCHEMBL2606676 0.83 S1PR1 (0.69) S1PR1S1PR5C5AR1
SCHEMBL3429582 0.82 S1PR1 (0.74) S1PR1S1PR5
SCHEMBL2125138 0.80 S1PR1 (0.69) S1PR1S1PR5
SCHEMBL13013305 0.80 S1PR1 (0.81) S1PR1S1PR5C5AR1
SCHEMBL2125227 0.79 S1PR1 (0.72) S1PR1S1PR5C5AR1

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
WO-2010146104-A1 THIADIAZOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF DISORDERS MEDIATED BY SLPL RECEPTORS GLAXO GROUP LIMITED (GB) 2010-12-23 WO disclosed