SCHEMBL2470834

SCHEMBL2470834

CCn1nc(-c2nc(-c3ccc(CC(=O)OC(=O)C4CN(Cc5ccc(-c6noc(-c7nn(CC)c8c7CCC(C)(C)C8)n6)cc5)C4)cc3)no2)c2c1CC(C)(C)CC2

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.45
S1PR3 Q99500 14/20 0.45
S1PR5 Q9H228 7/20 0.44
S1PR4 O95977 5/20 0.44

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
SCHEMBL2460743 0.89 S1PR1 (0.57) S1PR1S1PR3S1PR5S1PR4
SCHEMBL2470835 0.88 S1PR1 (0.53) S1PR1S1PR3S1PR5S1PR4
SCHEMBL13262937 0.85 HDAC4 (0.40) S1PR1S1PR3S1PR5
SCHEMBL2456198 0.83 S1PR1 (0.38) S1PR1S1PR3S1PR5S1PR4
SCHEMBL2473902 0.82 S1PR1 (0.36) S1PR1S1PR3S1PR5S1PR4
SCHEMBL2472095 0.80 S1PR1 (0.42) S1PR1S1PR3S1PR5S1PR4
SCHEMBL2469504 0.79 S1PR1 (0.41) S1PR1S1PR3
SCHEMBL2474869 0.79 S1PR1 (0.38) S1PR1S1PR3
SCHEMBL2474311 0.78 NPC1 (0.39) S1PR1S1PR3
SCHEMBL2458148 0.78 S1PR1 (0.37) 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
EP-2370431-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE Almirall S.A. (ES) 2011-10-05 EP claimed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 WO claimed