SCHEMBL945324

SCHEMBL945324

CN1CCn2c(c(Cl)c3cc(OCc4ccc(C5CCCC5)c(C(F)(F)F)c4)ccc32)C1CC(=O)O

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 4/20 0.59
S1PR5 Q9H228 4/20 0.59
ADORA3 P0DMS8 1/20 0.52
S1PR2 O95136 1/20 0.51
S1PR3 Q99500 1/20 0.51

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
SCHEMBL947343 1.00 S1PR1 (1.00) S1PR1S1PR4S1PR5ADORA3S1PR2
SCHEMBL950290 0.91 S1PR1 (0.84) S1PR1S1PR4S1PR5ADORA3S1PR2
SCHEMBL2014368 0.88 S1PR1 (0.78) S1PR1S1PR4S1PR5ADORA3S1PR2
SCHEMBL2022280 0.88 S1PR1 (0.78) S1PR1S1PR4S1PR5ADORA3S1PR2
SCHEMBL2014370 0.88 S1PR1 (0.78) S1PR1S1PR4S1PR5ADORA3S1PR2
SCHEMBL946121 0.87 S1PR1 (1.00) S1PR1S1PR4S1PR5ADORA3S1PR2
SCHEMBL946661 0.87 S1PR1 (1.00) S1PR1S1PR4S1PR5ADORA3S1PR2
SCHEMBL948759 0.84 S1PR1 (0.77) S1PR1S1PR4S1PR5
SCHEMBL2018192 0.82 S1PR1 (0.72) S1PR1S1PR4S1PR5ADORA3S1PR2
SCHEMBL2017713 0.82 S1PR1 (0.72) S1PR1S1PR4S1PR5ADORA3S1PR2

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 3 patents. 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
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
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