SCHEMBL1709445

SCHEMBL1709445

O=C(O)C[C@@H]1CC[C@@H](N(CC2CCCCC2)CC2(C3CCCCC3)CC2)[C@H](c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.35
SOAT1 P35610 1/20 0.35
PSEN1 P49768 3/20 0.35
PSEN2 P49810 3/20 0.35
APH1B Q8WW43 3/20 0.35
NCSTN Q92542 3/20 0.35
APH1A Q96BI3 3/20 0.35
PSENEN Q9NZ42 3/20 0.35
FFAR4 Q5NUL3 7/20 0.33
DPEP1 P16444 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
MGLL Q99685 1/20 0.33
HSD11B1 P28845 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MCHR1 Q99705 1/20 0.31
CSNK1D P48730 1/20 0.31

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
SCHEMBL1709485 0.89 PSEN1 (0.40) DGAT1SOAT1PSEN1PSEN2APH1B
SCHEMBL2315528 0.89 PSEN1 (0.40) DGAT1SOAT1PSEN1PSEN2APH1B
SCHEMBL6918246 0.88 PSEN1 (0.35) DGAT1SOAT1PSEN1PSEN2APH1B
SCHEMBL14108426 0.88 PSEN1 (0.35) DGAT1SOAT1PSEN1PSEN2APH1B
SCHEMBL2317127 0.88 PSEN1 (0.41) DGAT1SOAT1PSEN1PSEN2APH1B
SCHEMBL2317862 0.87 PSEN1 (0.40) DGAT1SOAT1PSEN1PSEN2APH1B
SCHEMBL6917600 0.86 PSEN1 (0.37) DGAT1SOAT1PSEN1PSEN2APH1B
SCHEMBL14108429 0.86 PSEN1 (0.37) DGAT1SOAT1PSEN1PSEN2APH1B
SCHEMBL10032990 0.85 PSEN1 (0.38) DGAT1SOAT1PSEN1PSEN2APH1B
SCHEMBL2315989 0.85 PSEN1 (0.38) DGAT1SOAT1PSEN1PSEN2APH1B

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-2012046771-A1 CYCLOALKANE COMPOUND アステラス製薬株式会社 (JP) 2012-04-12 WO disclosed