SCHEMBL23716352

SCHEMBL23716352

N[C@H](c1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 18/20 0.52
S1PR4 O95977 12/20 0.52
S1PR2 O95136 4/20 0.46
S1PR1 P21453 9/20 0.46
GBA1 P04062 2/20 0.39

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
SCHEMBL23716350 0.82 S1PR3 (0.55) S1PR3S1PR4S1PR2S1PR1GBA1
SCHEMBL23716432 0.81 S1PR3 (0.52) S1PR3S1PR4S1PR2S1PR1
SCHEMBL23716027 0.77 S1PR3 (0.56) S1PR3S1PR4S1PR2S1PR1
SCHEMBL14406909 0.74 S1PR3 (0.46) S1PR3S1PR4S1PR2S1PR1
Hydrochloric Acid SCHEMBL14333157 0.73 S1PR3 (0.45) S1PR3S1PR4S1PR2S1PR1
SCHEMBL12715529 0.73 AHR (0.50)
SCHEMBL27906475 0.70 IDO1 (0.34) S1PR3S1PR4
SCHEMBL17664159 0.69 S1PR3 (1.00) S1PR3S1PR4S1PR2S1PR1
SCHEMBL14033593 0.67 S1PR3 (0.43) S1PR3S1PR4S1PR2S1PR1
SCHEMBL14033306 0.67 S1PR3 (0.43) S1PR3S1PR4S1PR2S1PR1

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