SCHEMBL8049022

SCHEMBL8049022

C=CCCC1=CCC(C2CCC(c3ccc(-c4ccc(C#N)cc4)cc3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.33
KCNH2 Q12809 1/20 0.33
HRH2 P25021 2/20 0.32
HRH1 P35367 2/20 0.32
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
EGLN2 Q96KS0 1/20 0.31
PAX8 Q06710 1/20 0.30
P2RY14 Q15391 1/20 0.30

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
SCHEMBL8048836 0.97 GRIA1 (0.33) GRIA1GRIA2GRIA3
SCHEMBL8047922 0.88 HRH3 (0.36) HRH3KCNH2HRH2HRH1GRIA1
SCHEMBL8047929 0.85 PTGS1 (0.31)
SCHEMBL8055003 0.84 DRD2 (0.32) HRH3KCNH2GRIA1GRIA2GRIA3
SCHEMBL8052190 0.83 SPHK1 (0.35) P2RY14
SCHEMBL8052398 0.83 HTR2C (0.36) P2RY14
SCHEMBL8052410 0.82
SCHEMBL8047742 0.82
SCHEMBL8038008 0.82 DRD2 (0.33)
SCHEMBL8047538 0.80 MAOA (0.41) HRH3KCNH2

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