SCHEMBL1709462

SCHEMBL1709462

O=C(O)C[C@H]1CC[C@@H](N(CC2CCCCC2)CC2CCCCC2)[C@@H]1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPEP1 P16444 1/20 0.36
MCHR1 Q99705 2/20 0.36
HSD11B1 P28845 1/20 0.36
MGLL Q99685 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
PTGDR2 Q9Y5Y4 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
CSNK1D P48730 1/20 0.34
TACR1 P25103 1/20 0.34
NAMPT P43490 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
DGAT1 O75907 1/20 0.33
SOAT1 P35610 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
SCHEMBL1709509 1.00 DPEP1 (0.36) DPEP1MCHR1HSD11B1MGLLHTR2A
SCHEMBL10032832 0.96 TACR1 (0.36) DPEP1MCHR1HSD11B1MGLLHTR2A
SCHEMBL10032831 0.96 TACR1 (0.36) DPEP1MCHR1HSD11B1MGLLHTR2A
SCHEMBL1709405 0.94 TACR1 (0.38) DPEP1MCHR1HSD11B1MGLLHTR2A
SCHEMBL1709474 0.86 ALDH1A1 (0.38) MCHR1HSD11B1MGLLTACR1
SCHEMBL1709490 0.86 ALDH1A1 (0.38) MCHR1HSD11B1MGLLTACR1
SCHEMBL24913695 0.84 PSEN1 (0.41) DPEP1MCHR1HSD11B1HTR2AHTR2C
SCHEMBL1709409 0.82 POLB (0.38) DPEP1HSD11B1MGLLHTR2AHTR2C
SCHEMBL2315528 0.81 PSEN1 (0.40) DPEP1MCHR1HSD11B1MGLLHTR2A
SCHEMBL1709485 0.81 PSEN1 (0.40) DPEP1MCHR1HSD11B1MGLLHTR2A

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