SCHEMBL4073129

SCHEMBL4073129

COC(Cc1ccc(NCCCc2cccc(OS(C)(=O)=O)c2)cc1)C(=O)OC(=O)[C@@H](N)CCCNC(=N)N

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.39
MTNR1B P49286 4/20 0.39
NPY4R P50391 6/20 0.35
NPY1R P25929 4/20 0.35
NPY2R P49146 2/20 0.33
NPY5R Q15761 2/20 0.33
CNR1 P21554 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL4085070 1.00 MTNR1A (0.39) MTNR1AMTNR1BNPY4RNPY1RNPY2R
SCHEMBL4073315 0.93 MTNR1A (0.38) MTNR1AMTNR1BNPY4RNPY1RNPY2R
Arginine SCHEMBL4073126 0.90 MTNR1A (0.38) MTNR1AMTNR1BNPY4RNPY1R
Arginine SCHEMBL4085067 0.90 MTNR1A (0.38) MTNR1AMTNR1BNPY4RNPY1R
Arginine SCHEMBL4073128 0.90 MTNR1A (0.38) MTNR1AMTNR1BNPY4RNPY1R
SCHEMBL4073286 0.86 PPARG (0.44) NPY4RNPY1RNPY2RNPY5R
Arginine SCHEMBL4073310 0.85 PPARG (0.44) MTNR1AMTNR1B
Arginine SCHEMBL4073313 0.85 PPARG (0.44) MTNR1AMTNR1B
SCHEMBL4076714 0.84 PPARG (0.40) MTNR1AMTNR1BNPY4RNPY1RNPY2R
SCHEMBL5662208 0.83 MTNR1A (0.37) MTNR1AMTNR1BNPY4RNPY1RNPY2R

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
US-7598293-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2009-10-06 US claimed