SCHEMBL23716102

SCHEMBL23716102

N=C(NC(O)C(NNOc1cccc(Cl)c1)c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 14/20 0.40
S1PR1 P21453 5/20 0.40
S1PR4 O95977 5/20 0.39
S1PR2 O95136 2/20 0.39
S1PR5 Q9H228 1/20 0.37
SLC6A4 P31645 1/20 0.36
CNR1 P21554 2/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL23715998 0.97 S1PR3 (0.42) S1PR3S1PR1S1PR4S1PR2S1PR5
SCHEMBL23715847 0.88 S1PR3 (0.42) S1PR3S1PR1S1PR4S1PR2S1PR5
SCHEMBL23716138 0.80 LMNA (0.34) S1PR3S1PR4SLC6A4CNR2
SCHEMBL23715872 0.75 S1PR3 (0.40) S1PR3S1PR1S1PR4S1PR2S1PR5
SCHEMBL23715832 0.73 S1PR3 (0.58) S1PR3S1PR1S1PR4S1PR2S1PR5
SCHEMBL23715829 0.72 S1PR3 (0.44) S1PR3S1PR1S1PR4S1PR2S1PR5
SCHEMBL17663930 0.72 S1PR3 (0.47) S1PR3S1PR1S1PR4S1PR2CNR2
SCHEMBL23716117 0.72 OGG1 (0.38) SLC6A4CNR1CNR2
SCHEMBL23715916 0.69 OGG1 (0.44) SLC6A4
SCHEMBL23715936 0.68 NPC1 (0.44) SLC6A4

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