SCHEMBL1709487

SCHEMBL1709487

O=C(O)C[C@@H]1CC[C@@H](N(CCC2CCCC2)CCC2CCCC2)[C@H](c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
DGAT1 O75907 3/20 0.37
SOAT1 P35610 1/20 0.37
DPEP1 P16444 1/20 0.36
MGLL Q99685 1/20 0.35
HTR2C P28335 1/20 0.34
FFAR4 Q5NUL3 3/20 0.34
MAOA P21397 1/20 0.34
FFAR1 O14842 2/20 0.33
P2RY14 Q15391 2/20 0.33
HSD11B1 P28845 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
SCHEMBL10032987 0.99 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10032990 0.94 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2315989 0.94 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2314367 0.92 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2317127 0.90 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2315528 0.89 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1709485 0.89 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2317862 0.89 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1709402 0.88 HTR2C (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2319230 0.87 PSEN1 (0.43) 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