SCHEMBL6133029

SCHEMBL6133029

COCCCCOC1CCN(c2ccc(C#N)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA10 Q9GZZ6 1/20 0.44
CHRNA9 Q9UGM1 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
HRH3 Q9Y5N1 12/20 0.43
HRH1 P35367 2/20 0.38
HRH2 P25021 1/20 0.38
ACACB O00763 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37

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
SCHEMBL6132263 0.99 CHRNA10 (0.43) CHRNA10CHRNA9KDM4ETP53HRH3
SCHEMBL6134054 0.88 HRH3 (0.50) CHRNA10CHRNA9KDM4ETP53HRH3
SCHEMBL6135614 0.85 CHRNA10 (0.50) CHRNA10CHRNA9KDM4ETP53HRH3
SCHEMBL6134368 0.84 CHRNA10 (0.44) CHRNA10CHRNA9KDM4ETP53HRH3
SCHEMBL6135256 0.83 CHRNA10 (0.43) CHRNA10CHRNA9KDM4ETP53HRH3
SCHEMBL6134370 0.82 CHRNA10 (0.52) CHRNA10CHRNA9KDM4ETP53HRH3
SCHEMBL20346944 0.80 KDM4E (0.53) CHRNA10CHRNA9KDM4ETP53HRH3
SCHEMBL6135382 0.77 HRH3 (0.57) KDM4ETP53HRH3HRH1
SCHEMBL6135083 0.77 HRH3 (0.57) KDM4ETP53HRH3HRH1
SCHEMBL6135057 0.77 HRH3 (0.57) KDM4ETP53HRH3HRH1

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