SCHEMBL8048836

SCHEMBL8048836

C=CCCC1=CCC(C2CCC(c3ccc(C#N)cc3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 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
SCHEMBL8049022 0.97 HRH3 (0.33) GRIA1GRIA2GRIA3
SCHEMBL8055003 0.87 DRD2 (0.32) GRIA1GRIA2GRIA3
SCHEMBL8047742 0.84
SCHEMBL8038008 0.84 DRD2 (0.33)
SCHEMBL8047922 0.83 HRH3 (0.36) GRIA1GRIA2GRIA3
SCHEMBL8047538 0.83 MAOA (0.41)
SCHEMBL8050118 0.83 FASN (0.31)
SCHEMBL8037929 0.82 KCNJ1 (0.34)
SCHEMBL8037462 0.81 HTR2C (0.39)
SCHEMBL8049862 0.81 SPHK1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728829-B1 Liquid crystalline alkenylcyclohexene derivative, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 2000-05-03 EP disclosed
US-5698136-A LOW TEMPERATURE COMPATIBILITY, CHEMICAL STABILITY CHISSO CORPORATION (JP) 1997-12-16 US disclosed
EP-0728829-A2 Liquid crystalline alkenylcyclohexene derivative, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1996-08-28 EP disclosed