SCHEMBL16615868

SCHEMBL16615868

CC(O)[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CCCCNC(=O)CC[C@H](NC(=O)[C@@H](N)CO)C(=O)N1C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MC1R Q01726 1/20 0.45
SRC P12931 3/20 0.43
SSTR2 P30874 1/20 0.41
SSTR4 P31391 1/20 0.41
SSTR5 P35346 1/20 0.41
CCKBR P32239 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
NPY4R P50391 5/20 0.40
MMP1 P03956 2/20 0.40
MMP2 P08253 2/20 0.40
MMP3 P08254 2/20 0.40
MMP9 P14780 2/20 0.40
MMP8 P22894 2/20 0.40
KDM1A O60341 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
SSTR1 P30872 2/20 0.39
SSTR3 P32745 1/20 0.39

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
SCHEMBL16615764 0.93 MC1R (0.46) MC1RSRCSSTR2SSTR4SSTR5
SCHEMBL16615888 0.90 MC1R (0.38) MC1RSRCOPRM1OPRD1OPRK1
SCHEMBL16615750 0.89 SRC (0.47) MC1RSRCSSTR2SSTR4SSTR5
SCHEMBL16615743 0.86 TERF2 (0.42) MC1RSRCSSTR2SSTR4SSTR5
SCHEMBL16615594 0.86 MC1R (0.46) MC1RSRCSSTR2SSTR4SSTR5
SCHEMBL16615765 0.84 STAT3 (0.42) MC1RSRCSSTR2SSTR4SSTR5
SCHEMBL16691478 0.84 SRC (0.51) MC1RSRCSSTR2SSTR4SSTR5
SCHEMBL16615904 0.84 SRC (0.48) MC1RSRCSSTR2SSTR4SSTR5
SCHEMBL16615899 0.84 SIRT2 (0.39) MC1ROPRM1OPRD1OPRK1MMP1
SCHEMBL16615891 0.83 SSTR1 (0.36) MC1RSRCSSTR2SSTR4SSTR5

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