Sugi Predict

Sugi Predict / Compounds / SCHEMBL2123280

SCHEMBL2123280

SCHEMBL2123280

CC(C)(C)OC(=O)NCC(=O)O.CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN(C(=O)CNC(=O)OC(C)(C)C)CC4)no2)cc1C#N

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 20/20 0.68
▸ S1PR3 Q99500 8/20 0.68
▸ KCNH2 Q12809 2/20 0.61

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
SCHEMBL2605649 0.97 S1PR1 (0.67) S1PR1S1PR3KCNH2
SCHEMBL2125106 0.90 S1PR1 (0.56) S1PR1S1PR3KCNH2
SCHEMBL3431138 0.89 S1PR1 (0.74) S1PR1S1PR3KCNH2
SCHEMBL2123975 0.88 S1PR1 (0.54) S1PR1S1PR3KCNH2
SCHEMBL2602096 0.88 S1PR1 (0.63) S1PR1S1PR3KCNH2
SCHEMBL13012923 0.87 S1PR1 (0.52) S1PR1S1PR3KCNH2
SCHEMBL2602118 0.86 S1PR1 (0.52) S1PR1S1PR3KCNH2
SCHEMBL13012762 0.86 S1PR1 (0.72) S1PR1S1PR3KCNH2
SCHEMBL2605678 0.86 S1PR1 (0.66) S1PR1S1PR3KCNH2
SCHEMBL2121378 0.86 S1PR1 (0.72) S1PR1S1PR3KCNH2

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
EP-2443110-A1 S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING Glaxo Group Limited (GB) 2012-04-25 — — EP disclosed