SCHEMBL13013302

SCHEMBL13013302

Cc1c2c(nn1-c1nnc(-c3ccc(OC(C)C)c(N)c3)s1)CCN(C(=O)CN[C@H](C)CO)C2

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.56
S1PR5 Q9H228 1/20 0.56
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39

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
SCHEMBL13013307 0.94 S1PR1 (0.56) S1PR1S1PR5DPP4DPP8DPP9
SCHEMBL2130417 0.90 S1PR1 (0.69) S1PR1S1PR5
SCHEMBL2125645 0.90 S1PR1 (0.69) S1PR1S1PR5
SCHEMBL13012924 0.89 S1PR1 (0.60) S1PR1S1PR5DPP4DPP8DPP9
SCHEMBL13013304 0.89 S1PR1 (0.56) S1PR1S1PR5DPP4DPP8DPP9
SCHEMBL13013263 0.87 S1PR1 (0.54) S1PR1S1PR5DPP4DPP8DPP9
SCHEMBL2130215 0.85 S1PR1 (0.69) S1PR1S1PR5
SCHEMBL13013431 0.83 S1PR1 (0.58) S1PR1S1PR5
SCHEMBL13013305 0.82 S1PR1 (0.81) S1PR1S1PR5
SCHEMBL13012839 0.81 S1PR1 (0.68) S1PR1S1PR5

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