SCHEMBL13013281

SCHEMBL13013281

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

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.83
S1PR5 Q9H228 2/20 0.83
S1PR3 Q99500 1/20 0.40

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
SCHEMBL2606675 0.94 S1PR1 (0.74) S1PR1S1PR5
SCHEMBL13013305 0.92 S1PR1 (0.81) S1PR1S1PR5
SCHEMBL2125026 0.91 S1PR1 (1.00) S1PR1S1PR5S1PR3
SCHEMBL13012839 0.91 S1PR1 (0.68) S1PR1S1PR5
SCHEMBL2606676 0.91 S1PR1 (0.69) S1PR1S1PR5
Hydrochloric Acid SCHEMBL2122860 0.90 S1PR1 (0.98) S1PR1S1PR5S1PR3
SCHEMBL2128493 0.90 S1PR1 (1.00) S1PR1S1PR5S1PR3
SCHEMBL13012903 0.89 S1PR1 (0.67) S1PR1S1PR5
Trifluoroacetic Acid SCHEMBL2125035 0.87 S1PR1 (0.92) S1PR1S1PR5S1PR3
SCHEMBL2606673 0.86 S1PR1 (0.67) 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