SCHEMBL5149094

SCHEMBL5149094

CCN(Cc1ccc(C[C@@H](NC(=O)CC(NS(=O)(=O)c2ccc3cc(OC)ccc3c2)c2ccc3c(c2)OCO3)C(=O)N(C)C(C)C)cc1)C(C)(C)C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.71
CHRM5 P08912 1/20 0.71
ADRA2C P18825 1/20 0.71
S1PR1 P21453 1/20 0.71
FPR1 P21462 1/20 0.71
C5AR1 P21730 1/20 0.71
GPR183 P32249 1/20 0.71
APLNR P35414 1/20 0.71
OPRK1 P41145 1/20 0.71
GLP1R P43220 1/20 0.71
CX3CR1 P49238 1/20 0.71
TMEM97 Q5BJF2 1/20 0.71
ADGRF1 Q5T601 1/20 0.71
GPR65 Q8IYL9 1/20 0.71
GPR119 Q8TDV5 1/20 0.71
SIGMAR1 Q99720 1/20 0.71
GPR35 Q9HC97 1/20 0.71
HRH3 Q9Y5N1 1/20 0.71
ALDH1A1 P00352 5/20 0.42
F2 P00734 5/20 0.42

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
SCHEMBL5231233 1.00 CHRM2 (0.71) CHRM2CHRM5ADRA2CS1PR1FPR1
SCHEMBL5149078 1.00 CHRM2 (0.71) CHRM2CHRM5ADRA2CS1PR1FPR1
SCHEMBL5229470 0.90 CHRM2 (0.58) CHRM2CHRM5ADRA2CS1PR1FPR1
SCHEMBL5151027 0.88 CHRM2 (0.57) CHRM2CHRM5ADRA2CS1PR1FPR1
SCHEMBL5231620 0.88 CHRM2 (0.57) CHRM2CHRM5ADRA2CS1PR1FPR1
SCHEMBL5151032 0.88 CHRM2 (0.57) CHRM2CHRM5ADRA2CS1PR1FPR1
SCHEMBL5235637 0.85 CHRM2 (0.64) CHRM2CHRM5ADRA2CS1PR1FPR1
Hydrochloric Acid SCHEMBL5151708 0.84 CHRM2 (0.65) CHRM2CHRM5ADRA2CS1PR1FPR1
SCHEMBL5155983 0.84 CHRM2 (0.99) CHRM2CHRM5ADRA2CS1PR1FPR1
SCHEMBL5231688 0.84 CHRM2 (0.99) CHRM2CHRM5ADRA2CS1PR1FPR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7157454-B2 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2007-01-02 US claimed
US-20040116353-A1 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI (FR) 2004-06-17 US claimed
US-7157454-B2 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2007-01-02 US disclosed
US-20040116353-A1 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI (FR) 2004-06-17 US disclosed