SCHEMBL4595197

SCHEMBL4595197

[CH2]C1Cc2cc(C(C)C)cc(-c3ccccc3C)c2O1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
HTR7 P34969 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
HTR2A P28223 2/20 0.30
HTR2C P28335 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
SCHEMBL4595596 0.86 AQP1 (0.33) HTR7HTR2AHTR2C
SCHEMBL4595198 0.85 LMNA (0.39) LMNAALDH1A1MAPK1
SCHEMBL4596943 0.83 HTR7 (0.35) HTR7ALDH1A1MAPK1HTR2AHTR2C
SCHEMBL4224837 0.82 PRKAB2 (0.43) LMNAHTR7ALDH1A1MAPK1HTR2A
SCHEMBL4762566 0.81 AQP1 (0.42) HTR7ALDH1A1MAPK1HTR2AHTR2C
SCHEMBL6047945 0.80 GRIA1 (0.35) HTR7ALDH1A1MAPK1HTR2AHTR2C
SCHEMBL4597398 0.79 LMNA (0.36) LMNAALDH1A1MAPK1
SCHEMBL4596599 0.79 GPBAR1 (0.39)
SCHEMBL4596811 0.79 HTR7 (0.32) LMNAHTR7ALDH1A1MAPK1HTR2A
SCHEMBL6047939 0.79 HTR2A (0.40) HTR7ALDH1A1MAPK1HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
WO-2007030150-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH (US) 2007-03-15 WO disclosed