SCHEMBL8774618

SCHEMBL8774618

CCCCCCc1ccc(C2CCC(CCc3cc(F)c(F)nc3F)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.52
SPHK2 Q9NRA0 7/20 0.46
HTR2A P28223 1/20 0.37
S1PR2 O95136 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
RARB P10826 2/20 0.36
RARA P10276 1/20 0.36
RARG P13631 1/20 0.36

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
SCHEMBL8774604 1.00 SPHK1 (0.52) SPHK1SPHK2HTR2AS1PR2S1PR4
SCHEMBL8774383 0.99 SPHK1 (0.50) SPHK1SPHK2HTR2A
SCHEMBL8774395 0.99 SPHK1 (0.50) SPHK1SPHK2HTR2A
SCHEMBL8774626 0.95 SPHK1 (0.45) SPHK1SPHK2
SCHEMBL8774645 0.95 SPHK1 (0.45) SPHK1SPHK2
SCHEMBL8774159 0.91 SPHK1 (0.39) SPHK1SPHK2
SCHEMBL8774155 0.91 SPHK1 (0.39) SPHK1SPHK2
SCHEMBL8774427 0.90 SPHK1 (0.44) SPHK1SPHK2
SCHEMBL8774434 0.90 SPHK1 (0.44) SPHK1SPHK2
SCHEMBL8774366 0.89 SPHK1 (0.42) 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