SCHEMBL1663735

SCHEMBL1663735

CN(C)CCNC(=O)CCCc1cc2cc(C(=O)O)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.44
HRH4 Q9H3N8 1/20 0.44
MTNR1A P48039 3/20 0.43
HTR2C P28335 1/20 0.41
DNM1 Q05193 1/20 0.40
ITGB3 P05106 5/20 0.40
ITGA2B P08514 5/20 0.40
MTNR1B P49286 2/20 0.40
F7 P08709 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
APEX1 P27695 1/20 0.38
ACKR3 P25106 1/20 0.38
CSNK2A1 P68400 1/20 0.38
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 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
SCHEMBL1663128 0.87 MTNR1A (0.56) HRH3MTNR1AITGB3ITGA2BMTNR1B
SCHEMBL1663062 0.86 MTNR1A (0.44) HRH3MTNR1AITGB3ITGA2BMTNR1B
SCHEMBL1663712 0.85 MTNR1A (0.48) HRH3MTNR1AITGB3ITGA2BMTNR1B
SCHEMBL1663190 0.80 MTNR1A (0.40) HRH3MTNR1AITGB3ITGA2BMTNR1B
SCHEMBL1663077 0.79 ALDH1A1 (0.54) HRH3CYP2C9ALDH1A1HPGDPOLB
SCHEMBL13369823 0.78 MTNR1A (0.51) HRH3MTNR1AITGB3ITGA2BMTNR1B
SCHEMBL1663278 0.76 ALDH1A1 (0.53) ALDH1A1POLB
SCHEMBL6152137 0.76 HRH3 (0.53) HRH3MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL10989313 0.74 HRH3 (0.51) HRH3ALDH1A1
SCHEMBL10988758 0.74 HRH3 (0.51) HRH3ALDH1A1

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