SCHEMBL8077504

SCHEMBL8077504

CC(CCN(C)Cc1ccccc1)c1ccc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.47
UTS2R Q9UKP6 2/20 0.46
OPRM1 P35372 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
PRMT8 Q9NR22 1/20 0.45
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 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
SCHEMBL8075773 0.86 OPRK1 (0.46) UTS2ROPRM1
SCHEMBL8080511 0.84 AOC3 (0.54) ACHEUTS2ROPRM1TMEM97SIGMAR1
SCHEMBL5102674 0.79 UGT2B7 (0.50) UTS2RSIGMAR1
SCHEMBL14578374 0.74 CARM1 (0.60) SIGMAR1CARM1PRMT6PRMT8
SCHEMBL2888672 0.74 AOC3 (0.48) UTS2R
SCHEMBL13025061 0.74 AOC3 (0.48) UTS2R
SCHEMBL8060864 0.74 AOC3 (0.48) UTS2R
SCHEMBL8082126 0.73 AOC3 (0.47) UTS2RSIGMAR1
SCHEMBL11051116 0.73 UGT2B7 (0.55)
SCHEMBL8297797 0.73 HTR2A (0.62) SIGMAR1CARM1PRMT6PRMT8

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-2009051661-A2 SUBSTITUTED ARYL ALKYLAMINO-OXY-ANALOGS AND USES THEREOF THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2009-04-23 WO disclosed