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SCHEMBL949136

SCHEMBL949136

O=C(O)C[C@H]1NCCc2c1[nH]c1ccc(OCc3ccc(Cl)c(Cl)c3)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 18/20 1.00
▸ S1PR2 O95136 1/20 0.66
▸ S1PR4 O95977 1/20 0.66
▸ S1PR3 Q99500 1/20 0.66
▸ S1PR5 Q9H228 1/20 0.66
▸ MAPKAPK2 P49137 1/20 0.58
▸ KMT2A Q03164 1/20 0.52

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
SCHEMBL949137 1.00 S1PR1 (1.00) S1PR1S1PR2S1PR4S1PR3S1PR5
SCHEMBL946792 0.90 S1PR1 (1.00) S1PR1S1PR2S1PR4S1PR3S1PR5
Hydrochloric Acid SCHEMBL945954 0.89 S1PR1 (0.81) S1PR1S1PR2S1PR4S1PR3S1PR5
SCHEMBL946392 0.88 S1PR1 (1.00) S1PR1S1PR2S1PR4S1PR3S1PR5
SCHEMBL1082597 0.84 S1PR1 (1.00) S1PR1S1PR2S1PR4S1PR3S1PR5
SCHEMBL1082598 0.84 S1PR1 (1.00) S1PR1S1PR2S1PR4S1PR3S1PR5
SCHEMBL945550 0.84 S1PR1 (1.00) S1PR1S1PR2S1PR4S1PR3S1PR5
SCHEMBL947102 0.84 S1PR1 (1.00) S1PR1S1PR2S1PR4S1PR3S1PR5
SCHEMBL947104 0.84 S1PR1 (1.00) S1PR1S1PR2S1PR4S1PR3S1PR5
SCHEMBL946014 0.81 S1PR1 (1.00) S1PR1S1PR2S1PR4S1PR3S1PR5

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
WO-2011005295-A1 MODULATORS OF THE SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2011-01-13 — — WO disclosed