SCHEMBL1663062

SCHEMBL1663062

O=C(CCCc1cc2cc(C(=O)O)ccc2[nH]1)NCCO

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.44
ITGB3 P05106 7/20 0.43
ITGA2B P08514 7/20 0.43
APEX1 P27695 1/20 0.41
MTNR1B P49286 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
BACE1 P56817 1/20 0.39
CNR2 P34972 5/20 0.38
CNR1 P21554 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 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
SCHEMBL1663128 0.88 MTNR1A (0.56) MTNR1AITGB3ITGA2BAPEX1MTNR1B
SCHEMBL1663712 0.86 MTNR1A (0.48) MTNR1AITGB3ITGA2BMTNR1BHRH3
SCHEMBL1663735 0.86 HRH3 (0.44) MTNR1AITGB3ITGA2BAPEX1MTNR1B
SCHEMBL1663190 0.84 MTNR1A (0.40) MTNR1AITGB3ITGA2BAPEX1MTNR1B
SCHEMBL1664310 0.80 HRH3 (0.50) MTNR1AAPEX1MTNR1BHRH3BACE1
SCHEMBL13369823 0.79 MTNR1A (0.51) MTNR1AITGB3ITGA2BAPEX1MTNR1B
SCHEMBL13369810 0.77 HRH3 (0.47) MTNR1AAPEX1MTNR1BHRH3KDM4E
SCHEMBL6152137 0.77 HRH3 (0.53) MTNR1AAPEX1MTNR1BHRH3KDM4E
SCHEMBL1663077 0.76 ALDH1A1 (0.54) HRH3ALDH1A1HPGD
SCHEMBL4079956 0.75 MTNR1A (0.42) MTNR1AITGB3ITGA2BMTNR1BKDM4E

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