SCHEMBL1663712

SCHEMBL1663712

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.48
MTNR1B P49286 2/20 0.45
ITGB3 P05106 4/20 0.42
ITGA2B P08514 4/20 0.42
HRH3 Q9Y5N1 1/20 0.42
HPGD P15428 4/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGER4 P35408 1/20 0.40
TP53 P04637 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 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
SCHEMBL1663128 0.87 MTNR1A (0.56) MTNR1AMTNR1BITGB3ITGA2BHRH3
SCHEMBL1663062 0.86 MTNR1A (0.44) MTNR1AMTNR1BITGB3ITGA2BHRH3
SCHEMBL1663735 0.85 HRH3 (0.44) MTNR1AMTNR1BITGB3ITGA2BHRH3
SCHEMBL1663190 0.80 MTNR1A (0.40) MTNR1AMTNR1BITGB3ITGA2BHRH3
SCHEMBL13369823 0.78 MTNR1A (0.51) MTNR1AMTNR1BITGB3ITGA2BHRH3
SCHEMBL6152137 0.76 HRH3 (0.53) MTNR1AMTNR1BHRH3HPGDKDM4E
SCHEMBL1663077 0.74 ALDH1A1 (0.54) HRH3HPGDMEN1KMT2AHDAC3
SCHEMBL26926590 0.74 HRH3 (0.55) MTNR1AMTNR1BHRH3HPGDKDM4E
SCHEMBL4079956 0.74 MTNR1A (0.42) MTNR1AMTNR1BITGB3ITGA2BKDM4E
SCHEMBL6948860 0.74 HRH3 (0.51) HRH3MEN1KMT2ATP53ALDH1A1

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