SCHEMBL1709499

SCHEMBL1709499

C=C(O)C[C@@H]1CC[C@@H](N(CCC2CCCCC2)C2CCCC2)[C@H](c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.33
KDM1A O60341 5/20 0.31
MAOB P27338 5/20 0.31
MAOA P21397 4/20 0.31
DPEP1 P16444 1/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD11B1 P28845 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
TACR1 P25103 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
PSEN1 P49768 2/20 0.30
PSEN2 P49810 2/20 0.30
APH1B Q8WW43 2/20 0.30

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
SCHEMBL1709500 1.00 HTR2C (0.33) HTR2CKDM1AMAOBMAOADPEP1
SCHEMBL1709364 1.00 HTR2C (0.33) HTR2CKDM1AMAOBMAOADPEP1
SCHEMBL1709501 0.92 SLC6A4 (0.31) HTR2CSLC6A4SLC6A3
SCHEMBL1709402 0.91 HTR2C (0.34) HTR2CKDM1AMAOBMAOADPEP1
SCHEMBL1709422 0.90 SLC6A4 (0.33) HTR2CSLC6A4SLC6A3
SCHEMBL10033191 0.88 SLC6A4 (0.31) SLC6A4SLC6A3
SCHEMBL10032822 0.88 HTR2C (0.33) HTR2CKDM1AMAOBMAOADPEP1
SCHEMBL1709450 0.88 HTR2C (0.33) HTR2CKDM1AMAOBMAOADPEP1
SCHEMBL1709404 0.85 HTR2C (0.34) HTR2CKDM1AMAOBMAOADPEP1
SCHEMBL1709403 0.85 HTR2C (0.34) HTR2CKDM1AMAOBMAOADPEP1

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