SCHEMBL1709485

SCHEMBL1709485

O=C(O)CC1CCC(N(CC2CCCCCC2)CC2CCCCCC2)C(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.40
PSEN2 P49810 3/20 0.40
APH1B Q8WW43 3/20 0.40
NCSTN Q92542 3/20 0.40
APH1A Q96BI3 3/20 0.40
PSENEN Q9NZ42 3/20 0.40
DPEP1 P16444 1/20 0.38
HSD11B1 P28845 1/20 0.38
MGLL Q99685 1/20 0.37
DGAT1 O75907 2/20 0.37
SOAT1 P35610 1/20 0.37
MCHR1 Q99705 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
HTR2C P28335 2/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
TACR1 P25103 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
MAOA P21397 1/20 0.34

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
SCHEMBL2315528 1.00 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2317127 0.99 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2317862 0.98 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2315989 0.94 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10032990 0.94 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2319230 0.91 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2314142 0.91 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10032987 0.90 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6918642 0.90 MAOA (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2318915 0.90 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A

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