SCHEMBL7666705

SCHEMBL7666705

COc1ccc2c(C3=N/C(=C/N4CCN(c5nc6ccccc6[nH]5)CC4)C(=O)O3)cccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.47
ADRA1A P35348 1/20 0.44
KCNH2 Q12809 1/20 0.43
GFER P55789 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CASP1 P29466 1/20 0.41
OPRK1 P41145 1/20 0.41
RAB9A P51151 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL7666713 1.00 NPY5R (0.47) NPY5RADRA1AKCNH2GFERNPSR1
SCHEMBL7669906 0.91 NPY5R (0.54) NPY5RADRA1AKCNH2GFERNPSR1
SCHEMBL7669908 0.91 NPY5R (0.54) NPY5RADRA1AKCNH2GFERNPSR1
SCHEMBL7666369 0.88 ADRA1A (0.55) NPY5RADRA1AKCNH2NPSR1TP53
SCHEMBL7666364 0.88 ADRA1A (0.55) NPY5RADRA1AKCNH2NPSR1TP53
SCHEMBL7665126 0.85 KCNH2 (0.44) NPY5RKCNH2GFERNPSR1TP53
SCHEMBL7665129 0.85 KCNH2 (0.44) NPY5RKCNH2GFERNPSR1TP53
SCHEMBL7672232 0.85 RAB9A (0.49) NPY5RKCNH2GFERNPSR1TP53
SCHEMBL7672237 0.85 RAB9A (0.49) NPY5RKCNH2GFERNPSR1TP53
SCHEMBL7660687 0.83 ADRA1A (0.45) NPY5RADRA1AKCNH2NPSR1TP53

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-6355641-B1 HYPOTENSIVE AGENTS AND WOUND HEALING AGENTS SYNTEX (U.S.A.) LLC 2002-03-12 US disclosed