SCHEMBL5714710

SCHEMBL5714710

Cc1ncsc1CCN1CCN(C(=O)Oc2ccc(CSc3ncc[nH]3)cc2)CC1.O=C(Oc1ccc(CSc2ncc[nH]2)cc1)N1CCN(Cc2cccnc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
THRB P10828 2/20 0.36
HRH2 P25021 2/20 0.36
HRH1 P35367 2/20 0.36
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A5 Q9Y345 1/20 0.34

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
SCHEMBL6102049 0.91 THRB (0.41) KDM4EALDH1A1POLBTHRBHRH2
SCHEMBL6102002 0.87 KDM4E (0.47) KDM4EALDH1A1LMNAPOLB
SCHEMBL5714085 0.86 THRB (0.40) ALDH1A1POLBTHRBHRH2HRH1
SCHEMBL5714864 0.86 THRB (0.42) KDM4EALDH1A1POLBTHRBDRD2
SCHEMBL5714157 0.83 KDM4E (0.46) KDM4EALDH1A1HRH2HRH1DRD2
SCHEMBL5715611 0.82 KDM4E (0.47) KDM4EALDH1A1LMNAPOLBTHRB
SCHEMBL5714791 0.82 KDM4E (0.47) KDM4EALDH1A1LMNAPOLBTHRB
SCHEMBL5715063 0.82 KDM4E (0.47) KDM4EALDH1A1LMNAPOLB
SCHEMBL5714519 0.81 SLC6A5 (0.49) KDM4EALDH1A1LMNAPOLBSLC6A5
SCHEMBL5715250 0.81 KDM4E (0.44) KDM4EALDH1A1LMNAPOLBTHRB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006527212-A 2006-11-30 JP claimed
EP-1636187-A1 SUBSTITUTED PIPERAZINE CARBAMATES FOR USE AS INHIBITORS OF HORMONE SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2006-03-22 EP claimed
WO-2004111004-A1 SUBSTITUTED PIPERAZINE CARBAMATES FOR USE AS INHIBITORS OF HORMONE SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-12-23 WO claimed
EP-1636187-A1 SUBSTITUTED PIPERAZINE CARBAMATES FOR USE AS INHIBITORS OF HORMONE SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2006-03-22 EP disclosed
WO-2004111004-A1 SUBSTITUTED PIPERAZINE CARBAMATES FOR USE AS INHIBITORS OF HORMONE SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-12-23 WO disclosed