SCHEMBL4685654

SCHEMBL4685654

CCC1(O)CCCCC1c1ccccc1OC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 7/20 0.36
HCRTR1 O43613 4/20 0.36
SLC6A9 P48067 3/20 0.36
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
PROKR1 Q8TCW9 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
FFAR1 O14842 1/20 0.34
TRPA1 O75762 1/20 0.33
SSTR1 P30872 1/20 0.32
SSTR4 P31391 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
SCHEMBL4984854 0.84 ALDH1A1 (0.41) SLC6A4
SCHEMBL4991857 0.81 GAA (0.46) PROKR1TRPA1
SCHEMBL6470517 0.80 HCRTR2 (0.36) HCRTR2HCRTR1SLC6A9PROKR1CYP3A4
SCHEMBL4540376 0.79 HTR1A (0.46) SLC6A4SLC6A3
SCHEMBL4989697 0.72 KDM1A (0.45) TRPA1
SCHEMBL10618931 0.71 SLC6A4 (0.41) SLC6A4SLC6A3
SCHEMBL5695498 0.70 GAA (0.42) PROKR1
SCHEMBL4685646 0.70 SLC6A9 (0.46) SLC6A9SLC6A4SLC6A3CYP3A4CYP2C19
SCHEMBL7733909 0.69 PTGDR2 (0.50) HCRTR2HCRTR1SLC6A4SLC6A3PROKR1
SCHEMBL12473637 0.67 PROKR1 (0.45) HCRTR2HCRTR1SLC6A4SLC6A3PROKR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957470-A1 PROCESS FOR SELECTIVE SYNTHESIS OF ENANTIOMERS OF SUBSTITUTED 1-(2-AMINO-1-PHENYL-ETHYL)-CYCLOHEXANOLS Wyeth (US) 2008-08-20 EP disclosed
WO-2007067501-A1 PROCESS FOR SELECTIVE SYNTHESIS OF ENANTIOMERS OF SUBSTITUTED 1-(2-AMINO-1-PHENYL-ETHYL)-CYCLOHEXANOLS WYETH (US) 2007-06-14 WO disclosed
EP-1673059-A2 ALKANOL AND CYCLOALKANOL-AMINE DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2006-06-28 EP disclosed
EP-1673090-A1 FUSED-ARYL AND HETEROARYL DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2006-06-28 EP disclosed
WO-2005037207-A2 ARYLALKYL-PIPERAZINE DERIVATIVES FOR THE TREATMENT OF CONDITIONS AMELIORATED BY MONOAMINE REUPTAKE INCLUDING VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2005-04-28 WO disclosed
WO-2005037283-A1 FUSED-ARYL AND HETEROARYL DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2005-04-28 WO disclosed