SCHEMBL10265263

SCHEMBL10265263

Bc1ccc2c(c1)OCC21CCN(CCCC(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 20/20 0.49
S1PR1 P21453 9/20 0.49
S1PR3 Q99500 6/20 0.49

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
SCHEMBL18133352 0.94 S1PR5 (0.50) S1PR5S1PR1S1PR3
SCHEMBL326292 0.89 S1PR5 (0.51) S1PR5S1PR1S1PR3
SCHEMBL10264814 0.89 S1PR5 (0.48) S1PR5S1PR1S1PR3
SCHEMBL15137252 0.88 S1PR5 (0.49) S1PR5S1PR1S1PR3
SCHEMBL15144571 0.86 S1PR5 (0.47) S1PR5S1PR1S1PR3
SCHEMBL15144624 0.83 S1PR5 (0.59) S1PR5S1PR1S1PR3
SCHEMBL325649 0.83 S1PR5 (0.53) S1PR5S1PR1S1PR3
SCHEMBL15144587 0.83 S1PR5 (0.53) S1PR5S1PR1S1PR3
SCHEMBL326221 0.83 S1PR5 (0.56) S1PR5S1PR1S1PR3
SCHEMBL10265427 0.83 S1PR5 (0.56) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3144312-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS AbbVie B.V. (NL) 2017-03-22 EP disclosed
EP-2590955-B9 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE BV (NL) 2017-02-22 EP disclosed
EP-2590955-B1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE BV (NL) 2016-10-12 EP disclosed
WO-2012004378-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2012-01-12 WO disclosed