SCHEMBL948732

SCHEMBL948732

N#Cc1cc(-c2nc(-c3ccc4cc5n(c4c3)C(CC(=O)O)CC5)no2)ccc1C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.46
S1PR3 Q99500 5/20 0.46
S1PR4 O95977 4/20 0.46
S1PR5 Q9H228 4/20 0.46

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
SCHEMBL3426861 0.89 S1PR1 (0.48) S1PR1S1PR3S1PR5
SCHEMBL3431272 0.89 S1PR1 (0.48) S1PR1S1PR3S1PR4S1PR5
SCHEMBL3429213 0.86 S1PR1 (0.63) S1PR1S1PR3
SCHEMBL3428478 0.85 S1PR1 (0.46) S1PR1S1PR3S1PR4S1PR5
SCHEMBL3423106 0.84 S1PR1 (0.64) S1PR1S1PR3S1PR4S1PR5
SCHEMBL3427819 0.84 S1PR1 (0.64) S1PR1S1PR3S1PR5
SCHEMBL3425243 0.82 S1PR1 (0.53) S1PR1S1PR3S1PR4S1PR5
SCHEMBL3427176 0.82 CPT2 (0.42) S1PR1S1PR3S1PR4S1PR5
SCHEMBL3430725 0.81 S1PR1 (0.55) S1PR1S1PR3S1PR5
SCHEMBL3426893 0.80 S1PR1 (0.42) S1PR1S1PR3S1PR4S1PR5

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-2011005290-A1 DISUBSTITUTED OXADIAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2011-01-13 WO disclosed