SCHEMBL944992

SCHEMBL944992

N#Cc1cc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCNC5CC(=O)O)no2)ccc1C1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.60
S1PR4 O95977 5/20 0.53
S1PR5 Q9H228 5/20 0.53
S1PR3 Q99500 6/20 0.51
S1PR2 O95136 1/20 0.49

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
SCHEMBL951335 1.00 S1PR1 (0.60) S1PR1S1PR4S1PR5S1PR3S1PR2
SCHEMBL948551 0.83 S1PR1 (0.68) S1PR1S1PR4S1PR5S1PR3S1PR2
SCHEMBL945959 0.83 S1PR1 (0.68) S1PR1S1PR4S1PR5S1PR3S1PR2
SCHEMBL947010 0.83 S1PR1 (0.68) S1PR1S1PR4S1PR5S1PR3S1PR2
SCHEMBL945492 0.79 S1PR1 (0.76) S1PR1S1PR4S1PR5S1PR3S1PR2
SCHEMBL945493 0.79 S1PR1 (0.76) S1PR1S1PR4S1PR5S1PR3S1PR2
SCHEMBL945167 0.79 S1PR1 (0.81) S1PR1S1PR4S1PR5S1PR3
SCHEMBL945165 0.79 S1PR1 (0.81) S1PR1S1PR4S1PR5S1PR3
SCHEMBL12943856 0.78 S1PR1 (0.55) S1PR1S1PR4S1PR5S1PR3
SCHEMBL2562956 0.77 S1PR1 (0.80) S1PR1S1PR4S1PR5S1PR3

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