SCHEMBL8554728

SCHEMBL8554728

CCCCCCCCC1Cc2ccc(C#N)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.46
DRD3 P35462 4/20 0.46
PNMT P11086 6/20 0.43
GRM2 Q14416 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2C8 P10632 2/20 0.40
S1PR3 Q99500 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
FYN P06241 1/20 0.39
MCHR1 Q99705 2/20 0.38
SLC6A4 P31645 2/20 0.37
KCNH2 Q12809 1/20 0.36

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
SCHEMBL11215164 0.89 CYP3A4 (0.53) DRD2DRD3PNMTGRM2CYP3A4
SCHEMBL11210812 0.87 CYP3A4 (0.51) DRD2DRD3PNMTCYP3A4CYP2C8
SCHEMBL8552658 0.82 KDM4E (0.56) GRM2TSHRHSD17B10CYP3A4CYP2C8
SCHEMBL11139692 0.79 CYP3A4 (0.49) DRD2DRD3GRM2TSHRHSD17B10
SCHEMBL11141207 0.79 CYP3A4 (0.49) DRD2DRD3GRM2TSHRHSD17B10
SCHEMBL11142580 0.79 CYP3A4 (0.49) DRD2DRD3GRM2TSHRHSD17B10
SCHEMBL11139566 0.78 MCHR1 (0.48) DRD2DRD3TSHRHSD17B10CYP3A4
SCHEMBL6838956 0.77 PNMT (0.46) PNMTCYP3A4CYP2C8S1PR3CYP2D6
SCHEMBL6839687 0.77 PNMT (0.46) PNMTCYP3A4CYP2C8S1PR3CYP2D6
SCHEMBL11211912 0.77 DRD2 (0.46) DRD2DRD3PNMTCYP3A4CYP2C8

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-0546338-B1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KK (JP) 1998-02-04 EP disclosed
US-5385692-A Improved response CANON KABUSHIKI KAISHA (JP) 1995-01-31 US disclosed
EP-0546338-A1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1993-06-16 EP disclosed