SCHEMBL15599984

SCHEMBL15599984

C=NCc1cccc2c(C(F)(F)F)c(O[C@H]3CC[C@@H](C(F)(F)F)CC3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 10/20 0.43
LPAR1 Q92633 1/20 0.38
GRM2 Q14416 1/20 0.30

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
SCHEMBL15599971 0.86 ENPP2 (0.48) ENPP2LPAR1GRM2
SCHEMBL15565364 0.86 ENPP2 (0.48) ENPP2LPAR1GRM2
SCHEMBL15599982 0.85 ENPP2 (0.47) ENPP2LPAR1
SCHEMBL20403979 0.80 ENPP2 (0.52) ENPP2LPAR1GRM2
SCHEMBL20403951 0.79 ENPP2 (0.45) ENPP2LPAR1
SCHEMBL15599983 0.77 ENPP2 (0.57) ENPP2LPAR1
SCHEMBL15565622 0.77 ENPP2 (0.57) ENPP2LPAR1
SCHEMBL15565300 0.76 ENPP2 (0.46) ENPP2LPAR1
SCHEMBL15565297 0.76 ENPP2 (0.46) ENPP2LPAR1
SCHEMBL15599979 0.76 ENPP2 (0.49) ENPP2LPAR1

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
WO-2014025709-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-02-13 WO disclosed