SCHEMBL3134882

SCHEMBL3134882

CCCCc1ccc(-c2nc(-c3ccc(CN4CC(OC(=O)O)C4)nc3CC)no2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.45
S1PR5 Q9H228 5/20 0.44
S1PR4 O95977 3/20 0.44
S1PR3 Q99500 5/20 0.40

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
SCHEMBL3142335 0.95 S1PR1 (0.45) S1PR1S1PR5S1PR4S1PR3
SCHEMBL3128858 0.92 S1PR1 (0.45) S1PR1S1PR5S1PR4S1PR3
SCHEMBL3134876 0.91 S1PR1 (0.55) S1PR1S1PR5S1PR4S1PR3
SCHEMBL3137400 0.89 S1PR1 (0.53) S1PR1S1PR5S1PR4S1PR3
SCHEMBL3132696 0.87 S1PR1 (0.46) S1PR1S1PR5S1PR4S1PR3
SCHEMBL3137704 0.86 S1PR1 (0.55) S1PR1S1PR5S1PR4S1PR3
SCHEMBL3135528 0.82 S1PR1 (0.57) S1PR1S1PR5S1PR4S1PR3
SCHEMBL3128850 0.82 S1PR1 (0.56) S1PR1S1PR5S1PR4S1PR3
SCHEMBL3141824 0.82 S1PR1 (0.48) S1PR1S1PR5S1PR4S1PR3
SCHEMBL3135253 0.80 S1PR1 (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1873153-B1 3-AZETIDINECARBOXYLIC ACID DERIVATIVES FOR USE AS IMMUNOSUPPRESSANTS DAIICHI SANKYO CO LTD (JP) 2010-07-07 EP claimed