SCHEMBL13764787

SCHEMBL13764787

C=C(CC)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 20/20 0.85

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
SCHEMBL3723609 0.92 S1PR3 (1.00) S1PR3
SCHEMBL13764784 0.91 S1PR3 (0.86) S1PR3
SCHEMBL805674 0.90 S1PR3 (1.00) S1PR3
SCHEMBL786644 0.90 S1PR3 (1.00) S1PR3
SCHEMBL805641 0.90 S1PR3 (1.00) S1PR3
SCHEMBL291250 0.89 S1PR3 (1.00) S1PR3
SCHEMBL805703 0.88 S1PR3 (1.00) S1PR3
SCHEMBL805716 0.88 S1PR3 (1.00) S1PR3
SCHEMBL805676 0.88 S1PR3 (1.00) S1PR3
SCHEMBL805705 0.87 S1PR3 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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