SCHEMBL1663128

SCHEMBL1663128

CC(=O)NCCNC(=O)CCCc1cc2cc(C(=O)O)ccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.56
MTNR1B P49286 5/20 0.52
ITGB3 P05106 6/20 0.41
ITGA2B P08514 6/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
APEX1 P27695 1/20 0.39
MAPT P10636 2/20 0.39
BACE1 P56817 1/20 0.38
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL1663062 0.88 MTNR1A (0.44) MTNR1AMTNR1BITGB3ITGA2BHRH3
SCHEMBL1663735 0.87 HRH3 (0.44) MTNR1AMTNR1BITGB3ITGA2BHRH3
SCHEMBL1663712 0.87 MTNR1A (0.48) MTNR1AMTNR1BITGB3ITGA2BHRH3
SCHEMBL1663190 0.82 MTNR1A (0.40) MTNR1AMTNR1BITGB3ITGA2BHRH3
SCHEMBL13369823 0.79 MTNR1A (0.51) MTNR1AMTNR1BITGB3ITGA2BHRH3
SCHEMBL6152137 0.78 HRH3 (0.53) MTNR1AMTNR1BHRH3ALDH1A1KDM4E
SCHEMBL1663077 0.76 ALDH1A1 (0.54) HRH3ALDH1A1GAAMAPTALOX15
SCHEMBL10985371 0.75 HRH3 (0.51) HRH3ALDH1A1MAPTTSHR
SCHEMBL10989313 0.75 HRH3 (0.51) HRH3ALDH1A1MAPTTSHR
SCHEMBL10981244 0.75 HRH3 (0.51) HRH3ALDH1A1MAPTTSHR

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
EP-2642994-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS Ligand Pharmaceuticals Incorporated (US) 2013-10-02 EP disclosed
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed