SCHEMBL6901029

SCHEMBL6901029

CC1(C)OB(c2ccc(OCCN)c(C(F)(F)F)c2)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPL P06858 5/20 0.36
LIPG Q9Y5X9 5/20 0.36
F11 P03951 3/20 0.36
F2 P00734 2/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
AAK1 Q2M2I8 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
DGAT1 O75907 1/20 0.35
S1PR1 P21453 4/20 0.34
ESR1 P03372 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HIF1A Q16665 1/20 0.33
ROCK1 Q13464 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
SCHEMBL18704586 0.88 LPL (0.42) LPLLIPGF11F2PRSS1
SCHEMBL2146382 0.87 S1PR1 (0.42) LPLLIPGAAK1DGAT1S1PR1
SCHEMBL22150433 0.87 LPL (0.45) LPLLIPGAAK1CA1CA2
SCHEMBL2146769 0.86 CTSS (0.42) LPLLIPGF11F2PRSS1
SCHEMBL16499739 0.85 RXRA (0.42) LPLLIPGF11F2PRSS1
SCHEMBL2947619 0.85 LPL (0.48) LPLLIPGS1PR1ESR1
SCHEMBL6897919 0.85 KDM4E (0.41) LPLLIPGF11F2PRSS1
SCHEMBL28553153 0.84 THRA (0.43) LPLLIPGAAK1
SCHEMBL20361068 0.83 LPL (0.45) LPLLIPGF11F2PRSS1
SCHEMBL21434075 0.81 LPL (0.41) LPLLIPGF11F2PRSS1

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
WO-2011086125-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2011-07-21 WO disclosed