SCHEMBL7735160

SCHEMBL7735160

CC[C@H]1CC[C@H](C2CCC(CCc3ccc(C(F)(F)Oc4ccc(OC(F)(F)F)cc4)cc3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
SLC6A4 P31645 4/20 0.37
SLC6A3 Q01959 4/20 0.37
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAOB P27338 2/20 0.35
EPHX2 P34913 2/20 0.35
NR1H4 Q96RI1 1/20 0.34
SCN9A Q15858 1/20 0.34
KDM1A O60341 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
FFAR4 Q5NUL3 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
SCHEMBL7735168 1.00 TSHR (0.39) TSHRSLC6A4SLC6A3DRD2DRD4
SCHEMBL7735163 1.00 TSHR (0.39) TSHRSLC6A4SLC6A3DRD2DRD4
SCHEMBL7735497 0.96 TSHR (0.41) TSHRSLC6A4SLC6A3DRD2DRD4
SCHEMBL7735492 0.96 TSHR (0.41) TSHRSLC6A4SLC6A3DRD2DRD4
SCHEMBL7729987 0.93 MAOB (0.43) MAOB
SCHEMBL7731607 0.93 GCGR (0.39) TSHRSLC6A4SLC6A3DRD2DRD4
SCHEMBL7729991 0.93 MAOB (0.43) MAOB
SCHEMBL7729996 0.93 MAOB (0.43) MAOB
SCHEMBL7731598 0.93 GCGR (0.39) TSHRSLC6A4SLC6A3DRD2DRD4
SCHEMBL7731604 0.93 GCGR (0.39) TSHRSLC6A4SLC6A3DRD2DRD4

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-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 EP disclosed