SCHEMBL2230209

SCHEMBL2230209

N#Cc1ccc(-c2ccccc2)cc1OCCC1CCN(C(=O)OCc2cscn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 5/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
FAAH O00519 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
GRIN2B Q13224 5/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
MGLL Q99685 1/20 0.35
TEAD1 P28347 1/20 0.35
TEAD3 Q99594 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
FABP7 O15540 1/20 0.35
FABP3 P05413 1/20 0.35
FABP5 Q01469 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 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
SCHEMBL2228518 0.85 CHRM4 (0.39) CHRM4MEN1KMT2AFAAHGRIN2B
SCHEMBL2231117 0.84 TEAD1 (0.47) CHRM4FAAHMMP2MMP9GRIN2B
SCHEMBL2228092 0.84 GRM5 (0.41) CHRM4FAAHCTSS
SCHEMBL2229435 0.84 TEAD1 (0.45) CHRM4FAAHMMP2MMP9GRIN2B
SCHEMBL2227846 0.84 HRH2 (0.44) CHRM4FAAHMMP2MMP9GRIN2B
SCHEMBL2227842 0.84 GRIN2B (0.45) CHRM4MEN1KMT2AFAAHMMP2
SCHEMBL2228875 0.82 HRH2 (0.48) MMP2MMP9TEAD1TEAD3HRH2
SCHEMBL2229885 0.81 GPR119 (0.43) CHRM4MMP2MMP9GRIN2B
SCHEMBL2228262 0.80 GRIN2B (0.48) CHRM4FAAHGRIN2BCYP3A4CYP2D6
SCHEMBL2228993 0.79 KDM4E (0.44) CHRM4MEN1KMT2AFAAHMMP2

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