SCHEMBL17664461

SCHEMBL17664461

N=C(NC(O)C(NC(=O)c1cc(Cl)ccn1)c1ccc(Cl)c(Cl)c1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 19/20 0.48
S1PR4 O95977 11/20 0.48
S1PR1 P21453 4/20 0.48
S1PR5 Q9H228 3/20 0.48
KDM4C Q9H3R0 1/20 0.46
S1PR2 O95136 4/20 0.46

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
SCHEMBL17664347 0.83 S1PR3 (0.71) S1PR3S1PR4S1PR1S1PR5S1PR2
SCHEMBL17664437 0.82 S1PR3 (0.69) S1PR3S1PR4S1PR1S1PR5S1PR2
SCHEMBL17664421 0.73 S1PR3 (0.52) S1PR3S1PR4S1PR1S1PR5S1PR2
SCHEMBL17663900 0.70 S1PR3 (0.60) S1PR3S1PR4S1PR1S1PR5
SCHEMBL17663930 0.68 S1PR3 (0.47) S1PR3S1PR4S1PR1S1PR2
SCHEMBL23715847 0.67 S1PR3 (0.42) S1PR3S1PR4S1PR1S1PR5S1PR2
SCHEMBL17663954 0.66 S1PR3 (0.82) S1PR3S1PR4S1PR1S1PR5S1PR2
SCHEMBL17663950 0.66 S1PR3 (0.91) S1PR3S1PR4S1PR1S1PR5S1PR2
SCHEMBL6072225 0.65 GRM4 (0.65) KDM4C
SCHEMBL178048 0.65 KDM4C (0.75) KDM4C

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-2016053855-A1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS THE SCRIPPS RESEARCH INSTITUTE (US) 2016-04-07 WO disclosed