SCHEMBL5714519

SCHEMBL5714519

Cc1ncsc1CCN1CCN(C(=O)Oc2ccc(Cc3ccc(C(F)(F)F)cc3)cc2)CC1.O=C(Oc1ccc(Cc2ccc(C(F)(F)F)cc2)cc1)N1CCN(Cc2cccnc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 1/20 0.49
HIF1A Q16665 5/20 0.47
EPAS1 Q99814 5/20 0.47
FAAH O00519 1/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
TRPA1 O75762 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
MDH1 P40925 1/20 0.40
MDH2 P40926 1/20 0.40
LTA4H P09960 1/20 0.40
STAT3 P40763 2/20 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
SCHEMBL6102639 0.90 TRPA1 (0.45) SLC6A5TRPA1TRPV1MDH1MDH2
SCHEMBL5715611 0.87 KDM4E (0.47) KDM4EALDH1A1LMNAPOLBLTA4H
SCHEMBL6102857 0.86 HIF1A (0.59) SLC6A5HIF1AEPAS1FAAHKDM4E
SCHEMBL5714791 0.84 KDM4E (0.47) KDM4EALDH1A1LMNAPOLB
SCHEMBL6101710 0.84 TRPV1 (0.50) SLC6A5HIF1AEPAS1FAAHTRPA1
SCHEMBL5715602 0.84 LIPE (0.44) TRPA1TRPV1
SCHEMBL5714649 0.83 KDM4E (0.46) KDM4EALDH1A1LMNAPOLB
SCHEMBL5715250 0.83 KDM4E (0.44) KDM4EALDH1A1LMNAPOLB
SCHEMBL5714710 0.81 KDM4E (0.43) SLC6A5KDM4EALDH1A1LMNAPOLB
SCHEMBL6103199 0.81 TRPV1 (0.48) SLC6A5HIF1AEPAS1FAAHKDM4E

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