SCHEMBL20209561

SCHEMBL20209561

CCC(N)C1CCC(c2ccc(-c3ccc(-c4cc(F)c(OC)c(F)c4)c(F)c3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.36
CYP3A4 P08684 3/20 0.34
CYP2C9 P11712 2/20 0.34
TGFBR1 P36897 2/20 0.33
ACVR1 Q04771 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
DPP4 P27487 5/20 0.33
DPP7 Q9UHL4 4/20 0.33
DPP9 Q86TI2 3/20 0.33
DPP8 Q6V1X1 2/20 0.33
KCNH2 Q12809 1/20 0.33
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 0.31
FASN P49327 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
SCHEMBL18458904 0.90 CYP3A4 (0.35) APPCYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL20202912 0.84 CYP3A4 (0.37) APPCYP3A4CYP2C9TGFBR1ACVR1
SCHEMBL18458756 0.83 DPP4 (0.38) DPP4DPP7DPP9DPP8
SCHEMBL13112141 0.82 ESR2 (0.40) APPCYP3A4CYP2C9TGFBR1ACVR1
SCHEMBL18458840 0.82 APP (0.36) APPCYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL18458620 0.82 DPP4 (0.35) APPDPP4DPP7DPP9DPP8
SCHEMBL20202913 0.82 CYP2C9 (0.41) APPCYP3A4CYP2C9TGFBR1ACVR1
SCHEMBL18459106 0.82 APP (0.37) APPCYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL18559004 0.82 APP (0.37) APPCYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL19619448 0.81 APP (0.38) APPCYP3A4CYP2C9CYP2D6CYP2C19

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-20180148647-A1 COMPOSITION AND LIQUID CRYSTAL DISPLAY USING SAME DIC CORPORATION (JP) 2018-05-31 US disclosed