SCHEMBL2123647

SCHEMBL2123647

CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCN(C(=O)C(NC(=O)O)C(C)(C)C)C4)no2)cc1C#N

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.69
S1PR3 Q99500 3/20 0.59
S1PR5 Q9H228 1/20 0.57

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
SCHEMBL2124330 0.89 S1PR1 (0.68) S1PR1S1PR3S1PR5
SCHEMBL2121688 0.88 S1PR1 (0.73) S1PR1S1PR3S1PR5
SCHEMBL2124009 0.87 S1PR1 (0.66) S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL2123009 0.87 S1PR1 (0.72) S1PR1S1PR3S1PR5
SCHEMBL2123471 0.86 S1PR1 (0.71) S1PR1S1PR3S1PR5
SCHEMBL3428386 0.86 S1PR1 (0.73) S1PR1S1PR3S1PR5
SCHEMBL2605783 0.85 S1PR1 (0.64) S1PR1S1PR3S1PR5
SCHEMBL2605659 0.85 S1PR1 (0.64) S1PR1S1PR3S1PR5
SCHEMBL2132942 0.85 S1PR1 (0.68) S1PR1S1PR3S1PR5
SCHEMBL2128972 0.85 S1PR1 (0.68) S1PR1S1PR3S1PR5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2443110-A1 S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING Glaxo Group Limited (GB) 2012-04-25 EP disclosed
WO-2010146105-A1 S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING GLAXO GROUP LIMITED (GB) 2010-12-23 WO disclosed