SCHEMBL1709369

SCHEMBL1709369

CC(C)(C(=O)O)C1CCCC(N(CC2CCCCC2)CC2CCCCC2)C1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.41
MCHR1 Q99705 2/20 0.37
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MGLL Q99685 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
CYP3A4 P08684 2/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TACR1 P25103 1/20 0.33
CYP2C9 P11712 1/20 0.33
DPEP1 P16444 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 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
SCHEMBL10033124 0.89 HSD11B1 (0.39) HSD11B1MCHR1MGLLCYP3A4HTT
SCHEMBL1709405 0.82 TACR1 (0.38) HSD11B1MCHR1MGLLHTR2AHTR2C
SCHEMBL10032831 0.81 TACR1 (0.36) HSD11B1MCHR1MGLLHTR2AHTR2C
SCHEMBL10032832 0.81 TACR1 (0.36) HSD11B1MCHR1MGLLHTR2AHTR2C
SCHEMBL1709462 0.81 DPEP1 (0.36) HSD11B1MCHR1MGLLHTR2AHTR2C
SCHEMBL1709509 0.81 DPEP1 (0.36) HSD11B1MCHR1MGLLHTR2AHTR2C
SCHEMBL1709474 0.76 ALDH1A1 (0.38) HSD11B1MCHR1MGLLTACR1UBE2M
SCHEMBL1709490 0.76 ALDH1A1 (0.38) HSD11B1MCHR1MGLLTACR1UBE2M
SCHEMBL24913695 0.75 PSEN1 (0.41) HSD11B1MCHR1SLC6A4HTR2AHTR2C
SCHEMBL10032998 0.74 HTR2C (0.40) HSD11B1MCHR1SLC6A4SLC6A3MGLL

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