SCHEMBL2460749

SCHEMBL2460749

Cc1cc(-c2noc(-c3nn(C)c4c3CCC(C)(C)C4)n2)cc(C)c1CCI

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.36
S1PR3 Q99500 10/20 0.36
S1PR5 Q9H228 1/20 0.31

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
SCHEMBL2458058 0.91 S1PR1 (0.39) S1PR1S1PR3S1PR5
SCHEMBL2460750 0.91 S1PR1 (0.36) S1PR1S1PR3S1PR5
SCHEMBL2473895 0.90 S1PR1 (0.36) S1PR1S1PR3S1PR5
SCHEMBL2463341 0.90 S1PR1 (0.39) S1PR1S1PR3S1PR5
SCHEMBL12336593 0.89 S1PR1 (0.38) S1PR1S1PR3S1PR5
SCHEMBL2471598 0.88 S1PR1 (0.35) S1PR1S1PR3
SCHEMBL2473914 0.87 S1PR1 (0.41) S1PR1S1PR3S1PR5
SCHEMBL2461691 0.87 S1PR1 (0.46) S1PR1S1PR3S1PR5
SCHEMBL2460509 0.87 S1PR1 (0.36) S1PR1S1PR3S1PR5
SCHEMBL2471839 0.87 S1PR1 (0.36) S1PR1S1PR3

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
WO-2011113578-A1 NEW OXADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2011-09-22 WO disclosed
EP-2366702-A1 New oxadiazole derivatives Almirall, S.A. (ES) 2011-09-21 EP disclosed