SCHEMBL327487

SCHEMBL327487

CC(C)(C)C(CC(=O)O)N1CCC2(CC1)COc1cc(OCC3CC=CCC3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 20/20 0.43
S1PR1 P21453 11/20 0.42
S1PR3 Q99500 7/20 0.42

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
SCHEMBL327488 0.84 S1PR5 (0.50) S1PR5S1PR1S1PR3
SCHEMBL327793 0.82 S1PR5 (0.65) S1PR5S1PR1S1PR3
Hydrochloric Acid SCHEMBL327678 0.81 S1PR5 (0.65) S1PR5S1PR1S1PR3
SCHEMBL327486 0.79 S1PR5 (0.51) S1PR5S1PR1S1PR3
SCHEMBL10268776 0.69 S1PR5 (0.69) S1PR5S1PR1S1PR3
Hydrochloric Acid SCHEMBL326460 0.69 S1PR5 (0.69) S1PR5S1PR1S1PR3
SCHEMBL326215 0.67 S1PR5 (0.54) S1PR5S1PR1S1PR3
SCHEMBL326420 0.67 S1PR5 (0.73) S1PR5S1PR1S1PR3
SCHEMBL326746 0.66 S1PR5 (0.52) S1PR5S1PR1S1PR3
SCHEMBL326661 0.66 S1PR5 (0.52) S1PR5S1PR1S1PR3

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-2590955-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-05-15 EP disclosed
WO-2012004378-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2012-01-12 WO disclosed