SCHEMBL31263

SCHEMBL31263

CC1CCC(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.61
ESR2 Q92731 1/20 0.57
LIPE Q05469 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
GRM2 Q14416 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40

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
SCHEMBL13197433 1.00 HTR2C (0.61) HTR2CESR2LIPEDRD2DRD4
SCHEMBL13197432 1.00 HTR2C (0.61) HTR2CESR2LIPEDRD2DRD4
SCHEMBL11280521 0.94 HTR2C (0.56) HTR2CESR2
SCHEMBL4434726 0.94 HTR2C (0.56) HTR2CESR2LIPEDRD2DRD4
SCHEMBL26480380 0.94 HTR2C (0.56) HTR2CESR2
SCHEMBL1847401 0.89 HTR2C (0.73) HTR2CKDM1A
SCHEMBL17147616 0.89 HTR2C (0.53) HTR2CESR2KDM1ARCOR1
SCHEMBL19102561 0.89 HTR2C (0.53) HTR2CESR2KDM1ARCOR1
SCHEMBL17147613 0.89 HTR2C (0.53) HTR2CESR2KDM1ARCOR1
SCHEMBL9220519 0.88 HTR2C (0.50) HTR2CESR2LIPEKDM1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617473-B2 Switch element comprising a liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-04-11 US disclosed
US-9617473-B2 Switch element comprising a liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-04-11 US disclosed
US-20130155338-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-20 US disclosed
WO-2012025182-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2012-03-01 WO disclosed