SCHEMBL23715813

SCHEMBL23715813

N=C(NC(=O)C(NC(=O)C(N)c1cccc(Cl)c1)c1cccc(Cl)c1)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 20/20 0.72
S1PR1 P21453 7/20 0.72
S1PR4 O95977 8/20 0.71
S1PR2 O95136 2/20 0.71
S1PR5 Q9H228 2/20 0.60

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
SCHEMBL19196428 0.98 S1PR3 (0.72) S1PR3S1PR1S1PR4S1PR2S1PR5
SCHEMBL17663983 0.94 S1PR3 (0.77) S1PR3S1PR1S1PR4S1PR2S1PR5
SCHEMBL23715933 0.94 S1PR3 (0.67) S1PR3S1PR1S1PR4S1PR2S1PR5
SCHEMBL17663988 0.86 S1PR3 (0.74) S1PR3S1PR1S1PR4S1PR2S1PR5
SCHEMBL17664399 0.86 S1PR3 (0.91) S1PR3S1PR1S1PR4S1PR2S1PR5
SCHEMBL17664432 0.85 S1PR3 (0.73) S1PR3S1PR1S1PR4S1PR2S1PR5
SCHEMBL19195650 0.84 S1PR3 (0.72) S1PR3S1PR1S1PR4S1PR2S1PR5
SCHEMBL17663938 0.84 S1PR3 (1.00) S1PR3S1PR1S1PR4S1PR2S1PR5
SCHEMBL17663957 0.83 S1PR3 (1.00) S1PR3S1PR1S1PR4S1PR2S1PR5
SCHEMBL17664022 0.83 S1PR3 (0.77) S1PR3S1PR1S1PR4S1PR2S1PR5

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