SCHEMBL23716199

SCHEMBL23716199

N=C(NC(=O)C(NC(O)c1cc(Cl)cc(Cl)c1)c1ccc(F)c(Cl)c1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 20/20 0.61
S1PR1 P21453 8/20 0.61
S1PR4 O95977 10/20 0.54
S1PR5 Q9H228 3/20 0.54
S1PR2 O95136 4/20 0.50

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
SCHEMBL17664031 0.84 S1PR3 (0.86) S1PR3S1PR1S1PR4S1PR5S1PR2
SCHEMBL23716004 0.83 S1PR3 (0.62) S1PR3S1PR1S1PR4S1PR5S1PR2
SCHEMBL23716198 0.81 S1PR3 (0.58) S1PR3S1PR1S1PR4S1PR5S1PR2
SCHEMBL23715866 0.78 S1PR3 (0.71) S1PR3S1PR1S1PR4S1PR5S1PR2
SCHEMBL23715868 0.78 S1PR3 (0.58) S1PR3S1PR1S1PR4S1PR5S1PR2
SCHEMBL23716332 0.77 S1PR3 (0.72) S1PR3S1PR1S1PR4S1PR5S1PR2
SCHEMBL17664367 0.76 S1PR3 (1.00) S1PR3S1PR1S1PR4S1PR5S1PR2
SCHEMBL17663947 0.76 S1PR3 (0.80) S1PR3S1PR1S1PR4S1PR5S1PR2
SCHEMBL17664170 0.75 S1PR3 (0.83) S1PR3S1PR1S1PR4S1PR5S1PR2
SCHEMBL17663950 0.71 S1PR3 (0.91) S1PR3S1PR1S1PR4S1PR5S1PR2

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-3209732-B1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS SCRIPPS RESEARCH INST (US) 2021-08-04 EP disclosed