SCHEMBL5714136

SCHEMBL5714136

Cc1ccnc(CCc2ccc(OC(=O)N3CCN(CCCc4cccnc4)CC3)cc2)c1.Cc1ccnc(CCc2ccc(OC(=O)N3CCN(CCc4cccnc4)CC3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.45
ADORA3 P0DMS8 1/20 0.45
HTR2A P28223 1/20 0.45
HTR7 P34969 1/20 0.45
OPRM1 P35372 1/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
ALOX15 P16050 1/20 0.45
FAAH O00519 6/20 0.43
MGLL Q99685 2/20 0.42
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
POLB P06746 1/20 0.41
THRB P10828 2/20 0.41
PTAFR P25105 1/20 0.40
DRD2 P14416 1/20 0.40

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
SCHEMBL6101747 0.98 SIGMAR1 (0.47) SIGMAR1ADORA3HTR2AHTR7OPRM1
SCHEMBL6101400 0.97 KDM4E (0.44) KDM4EALDH1A1HRH2HRH1POLB
SCHEMBL5715177 0.92 SIGMAR1 (0.44) SIGMAR1ADORA3HTR2AHTR7OPRM1
SCHEMBL5714749 0.90 KDM4E (0.44) KDM4EALDH1A1HRH2HRH1POLB
SCHEMBL6103531 0.89 KDM4E (0.54) KDM4EALDH1A1POLB
SCHEMBL5715419 0.87 KDM4E (0.47) SIGMAR1ADORA3HTR2AHTR7OPRM1
SCHEMBL5715316 0.86 KDM4E (0.46) SIGMAR1ADORA3HTR2AHTR7OPRM1
SCHEMBL5714683 0.85 SIGMAR1 (0.46) SIGMAR1ADORA3HTR2AHTR7OPRM1
SCHEMBL5714888 0.85 KDM4E (0.47) SIGMAR1ADORA3HTR2AHTR7OPRM1
SCHEMBL5714479 0.85 SIGMAR1 (0.47) SIGMAR1ADORA3HTR2AHTR7OPRM1

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