SCHEMBL11071982

SCHEMBL11071982

CCCc1ccccc1[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccccc3CCC)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A3 Q01959 2/20 0.37
DRD2 P14416 2/20 0.36
HTR2C P28335 2/20 0.34
CYSLTR2 Q9NS75 2/20 0.34
CYSLTR1 Q9Y271 2/20 0.34
HTR1D P28221 2/20 0.34
HTR1B P28222 2/20 0.34
HCRTR2 O43614 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33

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
SCHEMBL11071980 1.00 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3DRD2HTR2C
SCHEMBL27397494 0.87 HTR1D (0.44) SLC6A4SLC6A2SLC6A3DRD2HTR1D
SCHEMBL11835299 0.86 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3DRD2CYSLTR2
SCHEMBL8207133 0.86 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3DRD2HTR2C
Hydrochloric Acid SCHEMBL7994679 0.85 HTR1D (0.43) SLC6A4SLC6A2SLC6A3DRD2HTR2C
SCHEMBL4825129 0.85 HTR1D (0.43) SLC6A4SLC6A2SLC6A3DRD2HTR1D
SCHEMBL11474957 0.84 CYP2C9 (0.41) SLC6A4SLC6A2SLC6A3DRD2MEN1
SCHEMBL4797383 0.79 MAPT (0.38) DRD2CYSLTR2CYSLTR1MEN1KMT2A
SCHEMBL4797393 0.79 MAPT (0.38) DRD2CYSLTR2CYSLTR1MEN1KMT2A
SCHEMBL8433540 0.78 CYP2C9 (0.42) SLC6A4SLC6A2SLC6A3HCRTR2MEN1

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
US-4477369-A New high temperature liquid-crystalline substances consisting of 4 or 5 six-member-rings and liquid-crystalline compositions containing same CHISSO CORPORATION (JP) 1984-10-16 US disclosed
EP-0084974-A1 Carbocyclic compounds with liquid-crystal properties Chisso Corporation (JP) 1983-08-03 EP disclosed