SCHEMBL14526322

SCHEMBL14526322

CCCCCC1CCC2CC(c3ccc(C#N)cc3)CCC2C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HRH3 Q9Y5N1 3/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
KCNH2 Q12809 1/20 0.35
SPHK1 Q9NYA1 2/20 0.35
CYP2C9 P11712 1/20 0.34
PGR P06401 2/20 0.34
USP30 Q70CQ3 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 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
SCHEMBL5684506 0.94 GRM2 (0.36) GRM2TSHRHSD17B10HRH3GRIA1
SCHEMBL5683718 0.93 GRM2 (0.38) GRM2TSHRHSD17B10HRH3GRIA1
SCHEMBL5683894 0.93 GRM2 (0.38) GRM2TSHRHSD17B10HRH3GRIA1
SCHEMBL14526323 0.91 MEN1 (0.43) HRH3GRIA1GRIA2GRIA3MEN1
SCHEMBL5684883 0.90 MEN1 (0.36) GRM2TSHRHSD17B10HRH3GRIA1
SCHEMBL6459908 0.88 SLC6A2 (0.42) TSHRKCNH2
SCHEMBL6459910 0.88 SLC6A2 (0.42) TSHRKCNH2
SCHEMBL4799371 0.88 MEN1 (0.43) GRM2TSHRHSD17B10HRH3GRIA1
SCHEMBL4799365 0.88 MEN1 (0.43) GRM2TSHRHSD17B10HRH3GRIA1
SCHEMBL4799347 0.88 MEN1 (0.43) GRM2TSHRHSD17B10HRH3GRIA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7198827-B1 Nematic liquid crystal composition and liquid crystal display device using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-04-03 US disclosed