SCHEMBL23715922

SCHEMBL23715922

CC(C)Nc1cc(ONNC(c2ccc(Cl)cc2)c2ccc(Cl)cc2NC(C)C)ccc1C#N

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 19/20 0.62
S1PR1 P21453 4/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL17664033 0.76 S1PR3 (1.00) S1PR3S1PR1
SCHEMBL23715835 0.76 S1PR3 (0.59) S1PR3S1PR1
SCHEMBL23715934 0.76 S1PR3 (0.61) S1PR3S1PR1
SCHEMBL23716403 0.76 S1PR3 (0.61) S1PR3S1PR1
SCHEMBL23716236 0.72 S1PR3 (0.56) S1PR3S1PR1
SCHEMBL23715976 0.72 S1PR3 (0.64) S1PR3S1PR1
SCHEMBL23715967 0.71 S1PR3 (0.64) S1PR3S1PR1
SCHEMBL23716353 0.71 S1PR3 (0.63) S1PR3S1PR1
SCHEMBL23715846 0.71 S1PR3 (0.53) S1PR3S1PR1
SCHEMBL19196454 0.71 S1PR3 (0.85) S1PR3S1PR1

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