SCHEMBL23716068

SCHEMBL23716068

Cc1cc(CON[C@H](c2ccc(Cl)cc2)c2ccc(Br)cn2)ccc1C#N

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 20/20 0.61
S1PR1 P21453 16/20 0.61
S1PR4 O95977 5/20 0.61
S1PR2 O95136 4/20 0.61

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
SCHEMBL23716067 0.76 S1PR3 (1.00) S1PR3S1PR1S1PR4S1PR2
SCHEMBL19195245 0.76 S1PR3 (1.00) S1PR3S1PR1S1PR4S1PR2
SCHEMBL17664453 0.76 S1PR3 (1.00) S1PR3S1PR1S1PR4S1PR2
SCHEMBL23716064 0.75 S1PR3 (0.62) S1PR3S1PR1S1PR4S1PR2
SCHEMBL23716052 0.73 S1PR3 (0.64) S1PR3S1PR1S1PR4S1PR2
SCHEMBL23715842 0.69 S1PR3 (0.64) S1PR3S1PR1S1PR4S1PR2
SCHEMBL19195618 0.69 S1PR3 (1.00) S1PR3S1PR1S1PR4S1PR2
SCHEMBL23716076 0.69 S1PR3 (1.00) S1PR3S1PR1S1PR4S1PR2
SCHEMBL23715955 0.68 S1PR3 (0.65) S1PR3S1PR1S1PR4S1PR2
SCHEMBL19195209 0.68 S1PR3 (1.00) S1PR3S1PR1S1PR4S1PR2

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