SCHEMBL2124180

SCHEMBL2124180

CC(C)Oc1ccc(-c2nnc(-n3cc4c(n3)CNCCC4)s2)cc1Cl

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.81
S1PR3 Q99500 1/20 0.48

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
SCHEMBL2131377 0.89 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL2123257 0.88 S1PR1 (0.88) S1PR1S1PR3
Trifluoroacetic Acid SCHEMBL2122754 0.82 S1PR1 (0.85) S1PR1
Trifluoroacetic Acid SCHEMBL2122704 0.82 S1PR1 (0.85) S1PR1
SCHEMBL2124411 0.81 S1PR1 (0.83) S1PR1S1PR3
SCHEMBL13012458 0.79 S1PR1 (0.80) S1PR1
SCHEMBL2129357 0.78 S1PR1 (0.61) S1PR1S1PR3
SCHEMBL2124027 0.78 S1PR1 (0.68) S1PR1
SCHEMBL2132791 0.77 S1PR1 (0.67) S1PR1
Lithium SCHEMBL2132815 0.77 S1PR1 (0.67) S1PR1

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-2443116-A1 THIADIAZOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF DISORDERS MEDIATED BY SLPL RECEPTORS Glaxo Group Limited (GB) 2012-04-25 EP disclosed
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