SCHEMBL5586547

SCHEMBL5586547

Cc1ccc(-c2cc(C)cc3c2O[CH]C3)cc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GPR84 Q9NQS5 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
MAOB P27338 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
SCHEMBL27723629 0.89 AHR (0.33) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL27703067 0.86 MAPT (0.39) MEN1ALDH1A1MAPTKMT2AGPR84
SCHEMBL27703068 0.85 CD274 (0.40)
SCHEMBL5586519 0.79 NPC1 (0.35) MEN1MAPTKMT2ASMN1; SMN2ADORA3
SCHEMBL27723634 0.79 HTR1A (0.38) ALDH1A1
SCHEMBL27723752 0.75 HTR7 (0.37)
SCHEMBL27723765 0.74 HTR1A (0.33) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL27723655 0.74 PLA2G7 (0.37) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5596068 0.73 F2RL3 (0.38) ALDH1A1MAPTSMN1; SMN2
SCHEMBL27723761 0.72 PTGS2 (0.35) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007509174-A 2007-04-12 JP claimed
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP claimed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 WO claimed