SCHEMBL8747935

SCHEMBL8747935

CCCCC1CCC(c2ccc(CCc3ccc(C(F)(F)F)cc3)c(F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 11/20 0.39
DRD2 P14416 2/20 0.38
DRD3 P35462 1/20 0.38
MAOB P27338 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
HTR2C P28335 2/20 0.35
SPHK2 Q9NRA0 7/20 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
SCHEMBL8748038 0.97 SPHK1 (0.41) SPHK1DRD2DRD3MAOBSPHK2
SCHEMBL8747996 0.96 SPHK1 (0.43) SPHK1DRD2DRD3SPHK2
SCHEMBL8747879 0.96 SPHK1 (0.43) SPHK1DRD2DRD3SPHK2
SCHEMBL8747988 0.93 ALDH1A1 (0.40) SPHK1DRD2DRD3MAOBTAAR1
SCHEMBL8044892 0.88 SLC6A4 (0.39) DRD2DRD3MAOBTAAR1HTR2C
SCHEMBL9399567 0.87 SPHK1 (0.49) SPHK1SPHK2
SCHEMBL8747905 0.87 KDM1A (0.36) SPHK1SPHK2
SCHEMBL8748035 0.87 SPHK1 (0.37) SPHK1SPHK2
SCHEMBL8748020 0.87 SPHK1 (0.34) SPHK1DRD2SPHK2
SCHEMBL8052323 0.85 MEN1 (0.34) DRD2DRD3MAOBTAAR1HTR2C

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-0761799-A1 Liquid crystalline compound substituted with fluorine containing group, liquid crystal composition, and liquid crystal display device Chisso Corporation (JP) 1997-03-12 EP disclosed