SCHEMBL13809362

SCHEMBL13809362

Nc1cc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCC5CC(=O)O)no2)ccc1O

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.71
S1PR4 O95977 2/20 0.61
S1PR5 Q9H228 2/20 0.61
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL2566613 0.90 S1PR1 (0.71) S1PR1S1PR4S1PR5ADORA3
SCHEMBL2566565 0.90 S1PR1 (0.71) S1PR1S1PR4S1PR5
SCHEMBL13809356 0.89 S1PR1 (0.77) S1PR1S1PR4S1PR5ADORA3
SCHEMBL2562956 0.88 S1PR1 (0.80) S1PR1S1PR4S1PR5
SCHEMBL13809465 0.88 S1PR1 (0.69) S1PR1S1PR4S1PR5ADORA3
SCHEMBL13809463 0.86 S1PR1 (0.81) S1PR1S1PR4S1PR5
SCHEMBL13809526 0.86 S1PR1 (0.81) S1PR1S1PR4S1PR5ADORA3
SCHEMBL2565071 0.86 S1PR1 (0.75) S1PR1S1PR4S1PR5ADORA3
SCHEMBL2561750 0.85 S1PR1 (0.74) S1PR1S1PR4S1PR5
SCHEMBL2565078 0.85 S1PR1 (0.77) S1PR1S1PR4S1PR5ADORA3

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