SCHEMBL23716304

SCHEMBL23716304

Cc1cc(C(=O)N[C@@H](C2=CC=C(Br)CN2)c2ccc(Cl)c(Cl)c2)ccc1C#N

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 20/20 0.65
S1PR1 P21453 13/20 0.65
S1PR4 O95977 3/20 0.63

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
SCHEMBL17664072 0.92 S1PR3 (0.69) S1PR3S1PR1S1PR4
SCHEMBL17663959 0.92 S1PR3 (0.61) S1PR3S1PR1S1PR4
SCHEMBL17664054 0.82 S1PR3 (0.72) S1PR3S1PR1S1PR4
SCHEMBL17663923 0.81 S1PR3 (0.47) S1PR3S1PR1S1PR4
SCHEMBL17664379 0.80 S1PR3 (0.62) S1PR3S1PR1S1PR4
SCHEMBL19195617 0.79 S1PR3 (1.00) S1PR3S1PR1S1PR4
SCHEMBL23716334 0.79 S1PR3 (1.00) S1PR3S1PR1S1PR4
SCHEMBL23716116 0.79 S1PR3 (0.64) S1PR3S1PR1S1PR4
SCHEMBL17664160 0.77 S1PR3 (0.68) S1PR3S1PR1S1PR4
SCHEMBL23716073 0.77 S1PR3 (1.00) S1PR3S1PR1S1PR4

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