SCHEMBL16615857

SCHEMBL16615857

CC(O)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)CO)CCC(=O)NCCCC[C@@H](CN[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)NC(=O)[C@H](CO)NC1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SSTR1 P30872 4/20 0.43
SSTR3 P32745 1/20 0.43
SRC P12931 1/20 0.43
SSTR2 P30874 1/20 0.42
SSTR4 P31391 1/20 0.42
SSTR5 P35346 1/20 0.42
REN P00797 4/20 0.40
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
CPB2 Q96IY4 1/20 0.39
MC1R Q01726 1/20 0.39
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
NPY4R P50391 1/20 0.38
NPY5R Q15761 1/20 0.38
KDM1A O60341 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38

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
SCHEMBL16615884 0.96 SSTR1 (0.43) SSTR1SSTR3SRCSSTR2SSTR4
SCHEMBL16615890 0.90 SRC (0.39) SSTR1SSTR3SRCRENOPRM1
SCHEMBL16615888 0.86 MC1R (0.38) SSTR1SSTR3SRCRENOPRM1
SCHEMBL16615854 0.85 SSTR2 (0.50) SSTR1SSTR3SRCSSTR2SSTR4
SCHEMBL16615891 0.83 SSTR1 (0.36) SSTR1SSTR3SRCSSTR2SSTR4
SCHEMBL16615864 0.82 SSTR5 (0.50) SSTR1SSTR3SRCSSTR2SSTR4
SCHEMBL16615765 0.81 STAT3 (0.42) SSTR1SSTR3SRCSSTR2SSTR4
SCHEMBL16615755 0.81 STAT3 (0.43) SSTR1SRCSSTR2SSTR4SSTR5
SCHEMBL16615751 0.79 SSTR5 (0.47) SSTR1SSTR3SRCSSTR2SSTR4
SCHEMBL16615904 0.79 SRC (0.48) SSTR1SSTR3SRCSSTR2SSTR4

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-2015044900-A1 THERAPEUTIC IMMUNOMODULATING COMPOUNDS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-04-02 WO disclosed