SCHEMBL2486442

SCHEMBL2486442

CCC1CCCCN1c1ccc(-c2nc(-c3ccc4c(c3)CN(CCC(=O)O)CC4)no2)cc1COC.CCC1CCCCN1c1ccc(-c2nc(-c3ccc4c(c3)CN(CCC(=O)OC(C)(C)C)CC4)no2)cc1COC

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.60
S1PR3 Q99500 4/20 0.47

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
SCHEMBL2416327 0.97 S1PR1 (0.56) S1PR1S1PR3
SCHEMBL2415571 0.94 S1PR1 (0.64) S1PR1S1PR3
SCHEMBL2512066 0.92 S1PR1 (0.61) S1PR1S1PR3
SCHEMBL3466175 0.91 S1PR1 (0.57) S1PR1S1PR3
SCHEMBL2417019 0.88 S1PR1 (0.63) S1PR1S1PR3
SCHEMBL2488515 0.84 S1PR1 (0.77) S1PR1S1PR3
SCHEMBL2512094 0.83 S1PR1 (0.57) S1PR1S1PR3
SCHEMBL2416930 0.83 S1PR1 (0.57) S1PR1S1PR3
SCHEMBL2486663 0.82 S1PR1 (0.89) S1PR1S1PR3
SCHEMBL2413218 0.81 S1PR1 (0.72) 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-2376484-A1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS Merck Serono S.A. (CH) 2011-10-19 EP disclosed
WO-2010069949-A1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS MERCK SERONO S.A. (CH) 2010-06-24 WO disclosed