SCHEMBL3714734

SCHEMBL3714734

CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2cc[c]cc2n1Cc1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 20/20 0.82

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
SCHEMBL290578 0.91 S1PR3 (1.00) S1PR3
SCHEMBL14110580 0.86 S1PR3 (0.84) S1PR3
SCHEMBL805698 0.86 S1PR3 (1.00) S1PR3
SCHEMBL805671 0.86 S1PR3 (1.00) S1PR3
SCHEMBL4883379 0.86 S1PR3 (1.00) S1PR3
SCHEMBL13764667 0.85 S1PR3 (0.85) S1PR3
SCHEMBL805697 0.85 S1PR3 (0.85) S1PR3
SCHEMBL805700 0.85 S1PR3 (1.00) S1PR3
SCHEMBL805630 0.85 S1PR3 (1.00) S1PR3
SCHEMBL12131384 0.85 S1PR3 (0.81) S1PR3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238109-A1 6-SUBSTITUTED INDOLE-3-CARBOXYLIC ACID AMIDE COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 2010-10-13 EP disclosed
EP-2125723-A1 6-SUBSTITUTED INDOLE-3-CARBOXYLIC ACID AMIDE COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY Allergan, Inc. (US) 2009-12-02 EP disclosed
WO-2009088531-A1 6-SUBSTITUTED INDOLE-3-CARBOXYLIC ACID AMIDE COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 2009-07-16 WO disclosed
WO-2008089015-A1 6-SUBSTITUTED INDOLE-3-CARBOXYLIC ACID AMIDE COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 2008-07-24 WO disclosed