SCHEMBL14237262

SCHEMBL14237262

O=C(O)OC1CN(Cc2ccc(-c3noc(-c4cnn(-c5ccccn5)c4C(F)(F)F)n3)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.51
S1PR3 Q99500 10/20 0.51
KCNH2 Q12809 1/20 0.48
S1PR5 Q9H228 4/20 0.47
S1PR4 O95977 3/20 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
SCHEMBL1335722 0.91 S1PR1 (0.62) S1PR1S1PR3KCNH2S1PR5S1PR4
SCHEMBL14237345 0.90 S1PR1 (0.56) S1PR1S1PR3KCNH2S1PR5S1PR4
SCHEMBL14237186 0.88 S1PR1 (0.54) S1PR1S1PR3KCNH2S1PR5S1PR4
SCHEMBL14237139 0.86 S1PR1 (0.52) S1PR1S1PR3S1PR5S1PR4
SCHEMBL14237308 0.86 S1PR1 (0.53) S1PR1S1PR3S1PR5S1PR4
SCHEMBL16354000 0.83 S1PR1 (0.53) S1PR1S1PR3KCNH2S1PR5S1PR4
SCHEMBL1335888 0.81 S1PR1 (0.53) S1PR1S1PR3
SCHEMBL1335173 0.80 S1PR1 (0.64) S1PR1S1PR3KCNH2S1PR5S1PR4
SCHEMBL14237208 0.80 S1PR1 (0.54) S1PR1S1PR3S1PR5S1PR4
SCHEMBL14237237 0.79 S1PR1 (0.55) S1PR1S1PR3S1PR5S1PR4

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-2382211-B1 PYRAZOLE-I, 2, 4 -OXAD IAZOLE DERIVATIVES AS S.PHING0SINE-1-PH0SPHATE AGONISTS BRISTOL MYERS SQUIBB CO (US) 2012-12-19 EP claimed