SCHEMBL18458588

SCHEMBL18458588

C=CC1CCC(C2CCC(C3CCC(NCCC)CC3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
HTR1A P08908 2/20 0.33
GNAI3 P08754 2/20 0.33
GNAO1 P09471 2/20 0.33
GNAI1 P63096 2/20 0.33
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31

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
SCHEMBL18458587 1.00 DRD2 (0.36) DRD2DRD3HTR1AGNAI3GNAO1
SCHEMBL18559022 0.89 GNAI3 (0.41) DRD2DRD3GNAI3GNAO1GNAI1
SCHEMBL19993065 0.84 GNAI3 (0.41) DRD2DRD3HTR1AGNAI3GNAO1
SCHEMBL18458810 0.80 DRD2 (0.35) DRD2DRD3GNAI3GNAO1GNAI1
SCHEMBL18458589 0.80 DRD2 (0.35) DRD2DRD3GNAI3GNAO1GNAI1
SCHEMBL19204650 0.80 TSHR (0.30) DRD2DRD3HTR1A
SCHEMBL26718738 0.78 GNAI3 (0.37) DRD2DRD3HTR1AGNAI3GNAO1
SCHEMBL18745586 0.77 DRD2 (0.33) DRD2DRD3GNAI3GNAO1GNAI1
SCHEMBL1678882 0.77
SCHEMBL5909386 0.77 GNAI3 (0.45) DRD2DRD3HTR1AGNAI3GNAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208250-B2 Liquid crystal composition and liquid crystal display element using same DIC CORPORATION (JP) 2019-02-19 US disclosed
US-9963636-B2 Liquid crystal composition and liquid crystal display device using same DIC CORPORATION (JP) 2018-05-08 US disclosed
US-9938463-B2 Liquid crystal composition and liquid crystal display device using the same DIC CORPORATION (JP) 2018-04-10 US disclosed
US-9828549-B2 Liquid crystal composition, liquid crystal display device, and liquid crystal display DIC CORPORATION (JP) 2017-11-28 US disclosed
US-9822304-B2 Liquid crystal composition and liquid crystal display element containing the same DIC CORPORATION (JP) 2017-11-21 US disclosed
EP-2801602-B1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DAINIPPON INK & CHEMICALS (JP) 2017-10-04 EP disclosed
US-20170226419-A1 POLYMERIZABLE-MONOMER-CONTAINING LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DIC CORPORATION (JP) 2017-08-10 US disclosed
US-20170210986-A1 LIQUID CRYSTAL DISPLAY ELEMENT DIC CORPORATION (JP) 2017-07-27 US disclosed
US-20170210989-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2017-07-27 US disclosed
US-9688913-B2 Liquid crystal composition, liquid crystal display device, and liquid crystal display DIC CORPORATION (JP) 2017-06-27 US disclosed
US-9650572-B2 Liquid crystal composition, liquid crystal display device, and liquid crystal display DIC CORPORATION (JP) 2017-05-16 US disclosed
EP-2781578-B1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DAINIPPON INK & CHEMICALS (JP) 2017-03-01 EP disclosed
US-9580654-B2 Liquid crystal composition and liquid crystal display device using the same DIC CORPORATION (JP) 2017-02-28 US disclosed
US-20170029700-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DIC CORPORATION (JP) 2017-02-02 US disclosed