SCHEMBL2580704

SCHEMBL2580704

COC(=O)C1CN(Cc2ccc(-c3noc(-c4cnn(-c5cccc(N)c5)c4)n3)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.49
S1PR5 Q9H228 14/20 0.49
S1PR4 O95977 11/20 0.49
S1PR3 Q99500 6/20 0.47

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
SCHEMBL2577642 0.82 S1PR1 (0.64) S1PR1S1PR5S1PR4S1PR3
SCHEMBL1334359 0.78 S1PR1 (0.56) S1PR1S1PR5S1PR4S1PR3
SCHEMBL1335776 0.76 S1PR1 (0.58) S1PR1S1PR5S1PR4S1PR3
SCHEMBL2274576 0.70 S1PR1 (0.45) S1PR1S1PR5
SCHEMBL1334297 0.69 S1PR1 (0.67) S1PR1S1PR5S1PR4S1PR3
SCHEMBL28644781 0.68 S1PR1 (0.60) S1PR1S1PR5S1PR4S1PR3
SCHEMBL3749519 0.68 S1PR1 (0.98) S1PR1S1PR5S1PR4S1PR3
SCHEMBL13415797 0.67 S1PR1 (1.00) S1PR1S1PR5S1PR4S1PR3
SCHEMBL1336650 0.67 S1PR1 (0.67) S1PR1S1PR5S1PR4S1PR3
SCHEMBL1334354 0.67 S1PR1 (0.70) S1PR1S1PR5S1PR4S1PR3

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-2382211-B1 PYRAZOLE-I, 2, 4 -OXAD IAZOLE DERIVATIVES AS S.PHING0SINE-1-PH0SPHATE AGONISTS BRISTOL MYERS SQUIBB CO (US) 2012-12-19 EP disclosed
EP-2382211-A1 PYRAZOLE-I, 2, 4 -OXAD IAZOLE DERIVATIVES AS S.PHING0SINE-1-PH0SPHATE AGONISTS Bristol-Myers Squibb Company (US) 2011-11-02 EP disclosed