SCHEMBL4648618

SCHEMBL4648618

O=C(O)c1cc(N(CC2CCCCC2)CC2CCCCC2)[nH]n1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.49
HCAR2 Q8TDS4 12/20 0.47
PKM P14618 4/20 0.39
DAO P14920 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ASPH Q12797 1/20 0.39
RIOX2 Q8IUF8 1/20 0.39
KDM8 Q8N371 1/20 0.39
S1PR3 Q99500 1/20 0.37
CYTH3 O43739 1/20 0.36
BTK Q06187 1/20 0.36
EPN1 Q9Y6I3 1/20 0.36

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
SCHEMBL4622789 0.71 HCAR2 (0.54) HCAR3HCAR2DAOCYTH3BTK
SCHEMBL12745110 0.70 TP53 (0.45) DAO
SCHEMBL5280753 0.69 KMT2A (0.51) HCAR2KDM4EASPHRIOX2KDM8
SCHEMBL16564029 0.69 HCAR2 (0.90) HCAR2DAOKDM4E
SCHEMBL4621634 0.69 HCAR2 (0.56) HCAR3HCAR2DAO
SCHEMBL6367000 0.67 HCAR2 (0.93) HCAR3HCAR2DAOCYTH3BTK
SCHEMBL4648844 0.67 HCAR2 (0.58) HCAR3HCAR2DAO
SCHEMBL4648305 0.67 HCAR3 (0.58) HCAR3HCAR2DAO
SCHEMBL22637139 0.66 HCAR2 (0.61) HCAR3HCAR2DAO
SCHEMBL4648492 0.66 HCAR2 (0.46) HCAR3HCAR2DAO

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-1899304-A1 5-AMINO-1H-PYRAZOLE-3-CARBOXYLIC ACID DERIVATIVES AS AGONISTS FOR THE G-PROTEIN COUPLED RECEPTOR (GPCR) RUP38 FOR THE TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF Arena Pharmaceuticals, Inc. (US) 2008-03-19 EP claimed
WO-2006127595-A1 5-AMINOPYRAZOLE CARBOXYLIC ACID DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2006-11-30 WO claimed
EP-1899304-A1 5-AMINO-1H-PYRAZOLE-3-CARBOXYLIC ACID DERIVATIVES AS AGONISTS FOR THE G-PROTEIN COUPLED RECEPTOR (GPCR) RUP38 FOR THE TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF Arena Pharmaceuticals, Inc. (US) 2008-03-19 EP disclosed
WO-2006127595-A1 5-AMINOPYRAZOLE CARBOXYLIC ACID DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2006-11-30 WO disclosed