Sugi Predict

Sugi Predict / Compounds / SCHEMBL946792

SCHEMBL946792

SCHEMBL946792

O=C(O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(Cl)c(C(F)(F)F)c3)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 20/20 1.00
▸ S1PR4 O95977 2/20 0.77
▸ S1PR5 Q9H228 2/20 0.77
▸ S1PR2 O95136 1/20 0.77
▸ S1PR3 Q99500 1/20 0.77
▸ ADORA3 P0DMS8 1/20 0.59

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
SCHEMBL949534 0.91 S1PR1 (0.84) S1PR1S1PR4S1PR5S1PR2S1PR3
SCHEMBL949136 0.90 S1PR1 (1.00) S1PR1S1PR4S1PR5S1PR2S1PR3
SCHEMBL949137 0.90 S1PR1 (1.00) S1PR1S1PR4S1PR5S1PR2S1PR3
SCHEMBL946655 0.87 S1PR1 (1.00) S1PR1S1PR4S1PR5S1PR2S1PR3
SCHEMBL945550 0.87 S1PR1 (1.00) S1PR1S1PR4S1PR5S1PR2S1PR3
SCHEMBL946392 0.87 S1PR1 (1.00) S1PR1S1PR4S1PR5S1PR2S1PR3
SCHEMBL947377 0.86 S1PR1 (1.00) S1PR1S1PR4S1PR5S1PR2S1PR3
SCHEMBL1918350 0.86 S1PR1 (1.00) S1PR1S1PR4S1PR5ADORA3
SCHEMBL30534227 0.86 S1PR1 (1.00) S1PR1S1PR4S1PR5ADORA3
SCHEMBL945859 0.84 S1PR1 (0.72) S1PR1S1PR4S1PR5S1PR2S1PR3

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 claimed