SCHEMBL6132771

SCHEMBL6132771

CS(=O)(=O)OC1CCN(c2ccc(C#N)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
TP53 P04637 1/20 0.50
GPR119 Q8TDV5 1/20 0.49
CYP3A4 P08684 1/20 0.45
HRH3 Q9Y5N1 7/20 0.44
CHRNA10 Q9GZZ6 1/20 0.43
CHRNA9 Q9UGM1 1/20 0.43
PARP1 P09874 1/20 0.42
PRKAA2 P54646 1/20 0.42
SLC6A9 P48067 1/20 0.40
KCNH2 Q12809 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
DPP4 P27487 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
FPR2 P25090 1/20 0.39
PROKR1 Q8TCW9 1/20 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
SCHEMBL9174457 0.81 GPR119 (0.47) KDM4ETP53GPR119CYP3A4HRH3
SCHEMBL20346944 0.80 KDM4E (0.53) KDM4ETP53GPR119HRH3CHRNA10
SCHEMBL28001502 0.77 KDM4E (0.50) KDM4ETP53HRH3CHRNA10CHRNA9
SCHEMBL21997950 0.77 USP2 (0.61) KDM4EGPR119HRH3KCNH2
SCHEMBL6134370 0.77 CHRNA10 (0.52) KDM4ETP53GPR119HRH3CHRNA10
SCHEMBL20140157 0.76 GRM5 (0.41) KDM4ECYP3A4
SCHEMBL6133189 0.76 MAPT (0.56)
SCHEMBL2455962 0.75 KDM4E (0.58) KDM4ETP53HRH3CHRNA10CHRNA9
SCHEMBL1748901 0.75 KDM4E (0.58) KDM4ETP53GPR119CYP3A4HRH3
SCHEMBL6132583 0.75 HRH3 (0.50) KDM4ETP53GPR119HRH3CHRNA10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed
EP-1173472-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-23 EP disclosed
WO-2000064927-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 WO disclosed