SCHEMBL9627286

SCHEMBL9627286

CNC(C)CCCc1ccccc1OC

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.50
MPO P05164 1/20 0.48
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
AOC3 Q16853 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
GRIN1 Q05586 3/20 0.44
GRIN2A Q12879 3/20 0.44
CHRM2 P08172 3/20 0.44
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44

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
SCHEMBL487002 0.84 TAAR1 (0.45) TAAR1SIGMAR1
SCHEMBL31332097 0.84 ALOX5 (0.38) MPOBCHE
SCHEMBL19398947 0.83 TAAR1 (0.56) TAAR1MPOMTNR1AMTNR1BSIGMAR1
SCHEMBL28089294 0.80 TAAR1 (0.58) TAAR1MPOSIGMAR1AOC3CA12
Methoxyphenamine SCHEMBL29390678 0.80 TAAR1 (0.50) TAAR1SIGMAR1
Methoxyphenamine SCHEMBL218289 0.80 TAAR1 (0.50) TAAR1SIGMAR1
Methoxyphenamine SCHEMBL14655868 0.80 TAAR1 (0.50) TAAR1SIGMAR1
Methoxyphenamine SCHEMBL2751759 0.80 TAAR1 (0.50) TAAR1SIGMAR1
SCHEMBL7831226 0.78 TAAR1 (0.69) TAAR1MPOMTNR1AMTNR1BSIGMAR1
Methoxyphenamine SCHEMBL208636 0.78 ALDH1A1 (0.51) TAAR1SIGMAR1CHRM2

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-0477184-A1 INHIBITORS OF MONO-AMINE OXIDASE, PROCESS FOR THEIR PREPARATION, AND THEIR USE IN THERAPEUTICS. FOURNIER INDUSTRIE ET SANTE (FR) 1992-04-01 EP disclosed
WO-1990011997-A2 INHIBITORS OF MONO-AMINE OXIDASE, PROCESS FOR THEIR PREPARATION, AND THEIR USE IN THERAPEUTICS. FOURNIER INNOVATION ET SYNERGIE (FR) 1990-10-18 WO disclosed