SCHEMBL23716306

SCHEMBL23716306

C/C(Br)=C\C=C(/N)[C@H](NNOc1ccc(C#N)c(C)c1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 19/20 0.56
S1PR1 P21453 15/20 0.39
S1PR4 O95977 3/20 0.37
S1PR2 O95136 2/20 0.33
AR P10275 1/20 0.32

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
SCHEMBL23716085 0.93 S1PR3 (0.65) S1PR3S1PR1S1PR4S1PR2AR
SCHEMBL23716119 0.81 S1PR3 (0.44) S1PR3S1PR1S1PR4S1PR2AR
SCHEMBL23716081 0.76 S1PR3 (0.41) S1PR3S1PR1S1PR4S1PR2AR
SCHEMBL23716245 0.74 AR (0.40) S1PR3AR
SCHEMBL23716140 0.74 S1PR3 (0.32) S1PR3
SCHEMBL23716127 0.73 OGG1 (0.35) S1PR3S1PR2
SCHEMBL23716130 0.72 S1PR3 (0.45) S1PR3S1PR1S1PR4S1PR2AR
SCHEMBL17664046 0.72 S1PR3 (1.00) S1PR3S1PR1S1PR4S1PR2
SCHEMBL19196473 0.72 S1PR3 (1.00) S1PR3S1PR1S1PR4S1PR2
SCHEMBL23716062 0.67 SIGMAR1 (0.31)

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