SCHEMBL13809347

SCHEMBL13809347

Nc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCC5CC(=O)O)no2)c1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.80
S1PR5 Q9H228 2/20 0.80
S1PR4 O95977 1/20 0.80

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
SCHEMBL2562568 0.92 S1PR1 (0.81) S1PR1S1PR5S1PR4
SCHEMBL13809521 0.92 S1PR1 (0.74) S1PR1S1PR5S1PR4
SCHEMBL2562578 0.92 S1PR1 (0.81) S1PR1S1PR5S1PR4
SCHEMBL2562168 0.91 S1PR1 (0.80) S1PR1S1PR5S1PR4
SCHEMBL2564913 0.91 S1PR1 (0.80) S1PR1S1PR5S1PR4
SCHEMBL2564301 0.91 S1PR1 (0.79) S1PR1S1PR5S1PR4
SCHEMBL2562570 0.90 S1PR1 (0.79) S1PR1S1PR5S1PR4
SCHEMBL2563288 0.90 S1PR1 (0.79) S1PR1S1PR5S1PR4
SCHEMBL2567868 0.90 S1PR1 (0.79) S1PR1S1PR5S1PR4
SCHEMBL12161452 0.90 S1PR1 (0.79) S1PR1S1PR5S1PR4

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-2009078983-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2009-06-25 WO disclosed