SCHEMBL8774873

SCHEMBL8774873

CCCCc1ccc(C2CCC(c3cc(F)c(F)nc3F)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.49
SPHK2 Q9NRA0 7/20 0.43
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34

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
SCHEMBL8774869 1.00 SPHK1 (0.49) SPHK1SPHK2FAAHMGLL
SCHEMBL8774490 0.96 SPHK1 (0.54) SPHK1SPHK2
SCHEMBL8774483 0.96 SPHK1 (0.54) SPHK1SPHK2
SCHEMBL8775009 0.92 SPHK1 (0.42) SPHK1SPHK2
SCHEMBL8775016 0.92 SPHK1 (0.42) SPHK1SPHK2
SCHEMBL8774226 0.89 SPHK1 (0.46) SPHK1SPHK2MGLL
SCHEMBL8774234 0.89 SPHK1 (0.46) SPHK1SPHK2MGLL
SCHEMBL8774422 0.87 PANK3 (0.35) SPHK1
SCHEMBL8774430 0.87 PANK3 (0.35) SPHK1
SCHEMBL8774570 0.87 SPHK1 (0.35) SPHK1SPHK2

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-0519370-B1 Heterocyclic derivatives MERCK PATENT GMBH (DE) 1997-11-05 EP disclosed
EP-0519370-A2 Heterocyclic derivatives MERCK PATENT GmbH (DE) 1992-12-23 EP disclosed