SCHEMBL2565705

SCHEMBL2565705

N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4[nH]c5c(c4c3)CC[C@@H]5CC(=O)O)no2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 1.00
S1PR5 Q9H228 3/20 1.00
S1PR4 O95977 2/20 1.00

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
SCHEMBL2567881 1.00 S1PR1 (1.00) S1PR1S1PR5S1PR4
SCHEMBL2562414 1.00 S1PR1 (1.00) S1PR1S1PR5S1PR4
SCHEMBL2567837 0.93 S1PR1 (0.86) S1PR1S1PR5S1PR4
SCHEMBL2565081 0.92 S1PR1 (0.85) S1PR1S1PR5S1PR4
SCHEMBL2564991 0.92 S1PR1 (0.85) S1PR1S1PR5S1PR4
SCHEMBL2566711 0.91 S1PR1 (0.83) S1PR1S1PR5S1PR4
SCHEMBL2567879 0.91 S1PR1 (0.83) S1PR1S1PR5S1PR4
SCHEMBL2564253 0.90 S1PR1 (1.00) S1PR1S1PR5S1PR4
SCHEMBL2562568 0.90 S1PR1 (0.81) S1PR1S1PR5S1PR4
SCHEMBL2562578 0.90 S1PR1 (0.81) 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
EP-2222668-B1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARM INC (US) 2011-11-02 EP claimed