SCHEMBL1709503

SCHEMBL1709503

CC1(C)CC(N(CCC2CCCCC2)[C@@H]2CC[C@@H](CC(=O)O)C[C@H]2c2ccc(C(F)(F)F)cc2)CC(C)(C)C1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.37
PSEN2 P49810 3/20 0.37
APH1B Q8WW43 3/20 0.37
NCSTN Q92542 3/20 0.37
APH1A Q96BI3 3/20 0.37
PSENEN Q9NZ42 3/20 0.37
CETP P11597 5/20 0.35
MCHR1 Q99705 1/20 0.33
DPEP1 P16444 1/20 0.33
TACR1 P25103 2/20 0.33
CYP3A4 P08684 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
DGAT1 O75907 2/20 0.32
SOAT1 P35610 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GPR88 Q9GZN0 1/20 0.32

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 0.84 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1709487 0.83 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2315989 0.81 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10032990 0.81 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1709422 0.80 SLC6A4 (0.33)
SCHEMBL2314367 0.79 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1709499 0.79 HTR2C (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1709500 0.79 HTR2C (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1709364 0.79 HTR2C (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2315528 0.79 PSEN1 (0.40) 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