SCHEMBL9766639

SCHEMBL9766639

CCCCCc1ccc([C@H]2CC[C@H](c3ccc(F)nc3F)CC2)c(F)c1.CCCCc1ccc([C@H]2CC[C@H](c3ccc(F)nc3F)CC2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 11/20 0.39
DRD2 P14416 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
SPHK2 Q9NRA0 7/20 0.34
TLR8 Q9NR97 2/20 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
SCHEMBL9159228 0.99 SPHK1 (0.39) SPHK1DRD2SLC6A2HTR2AHTR2C
SCHEMBL9159238 0.99 SPHK1 (0.39) SPHK1DRD2SLC6A2HTR2AHTR2C
SCHEMBL9161057 0.97 SPHK1 (0.35) SPHK1DRD2SLC6A2HTR2AHTR2C
SCHEMBL9161069 0.97 SPHK1 (0.35) SPHK1DRD2SLC6A2HTR2AHTR2C
SCHEMBL9156283 0.90 PANK3 (0.34) DRD2
SCHEMBL9156280 0.90 PANK3 (0.34) DRD2
SCHEMBL8774341 0.86 SPHK1 (0.39) SPHK1DRD2SLC6A2HTR2AHTR2C
SCHEMBL8774331 0.86 SPHK1 (0.39) SPHK1DRD2SLC6A2HTR2AHTR2C
SCHEMBL9160919 0.85 SPHK1 (0.56) SPHK1SPHK2
SCHEMBL8774422 0.85 PANK3 (0.35) SPHK1DRD2SLC6A2HTR2AHTR2C

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
EP-0445248-A1 PYRIDINE DERIVATIVES. MERCK PATENT GMBH (DE) 1991-09-11 EP disclosed