SCHEMBL2228518

SCHEMBL2228518

N#Cc1ccc(-c2ccccc2)cc1OCCC1CCN(C(=O)OCc2cncs2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 4/20 0.39
FAAH O00519 1/20 0.39
GRIN2B Q13224 9/20 0.39
CYP2D6 P10635 4/20 0.39
CYP2C9 P11712 4/20 0.39
CYP3A4 P08684 3/20 0.39
CTSS P25774 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL2230209 0.85 CHRM4 (0.40) CHRM4FAAHGRIN2BCYP2D6CYP2C9
SCHEMBL2227842 0.85 GRIN2B (0.45) CHRM4FAAHGRIN2BCYP2D6CYP2C9
SCHEMBL2227630 0.85 TEAD1 (0.47) CHRM4FAAHGRIN2BCYP2D6CYP2C9
SCHEMBL2228814 0.85 GRM5 (0.41) CHRM4FAAHCTSSKMT2ARAB9A
SCHEMBL2228392 0.84 TEAD1 (0.45) CHRM4FAAHGRIN2BCYP2D6CYP2C9
SCHEMBL13837342 0.84 HRH2 (0.43) CHRM4FAAHGRIN2BFNTAFNTB
SCHEMBL2228311 0.84 FAAH (0.44) CHRM4FAAHGRIN2BCYP2D6CYP2C9
SCHEMBL2229515 0.82 HRH2 (0.47) GRIN2BFNTAFNTBPGGT1B
SCHEMBL2229291 0.81 GPR119 (0.41) CHRM4GRIN2BCTSS
SCHEMBL2226276 0.81 TEAD1 (0.53) CHRM4FAAHGRIN2BCYP2D6CYP2C9

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
WO-2011089550-A1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI AVENTIS (FR) 2011-07-28 WO claimed
WO-2011089550-A1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI AVENTIS (FR) 2011-07-28 WO disclosed