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SCHEMBL5506790

SCHEMBL5506790

N#CC(C#N)=CN(CCCN1CCCCC1)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL3 Q96JM7 6/20 0.36
▸ L3MBTL1 Q9Y468 6/20 0.36
▸ HRH3 Q9Y5N1 10/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ MBTD1 Q05BQ5 1/20 0.32
▸ TP53BP1 Q12888 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL5507934 0.92 L3MBTL3 (0.38) L3MBTL3L3MBTL1HRH3CYP3A4CYP2C9
SCHEMBL4391427 0.70 L3MBTL3 (0.37) L3MBTL3L3MBTL1HRH3CYP3A4CYP2C9
SCHEMBL4391600 0.70 L3MBTL3 (0.37) L3MBTL3L3MBTL1HRH3CYP3A4CYP2C9
SCHEMBL4385702 0.68 L3MBTL3 (0.36) L3MBTL3L3MBTL1HRH3CYP3A4CYP2C9
SCHEMBL5502785 0.68 HRH3 (0.38) HRH3MAPT
SCHEMBL4381114 0.64 L3MBTL1 (0.51) L3MBTL3L3MBTL1HRH3CYP3A4
SCHEMBL4383145 0.64 L3MBTL1 (0.51) L3MBTL3L3MBTL1HRH3CYP3A4
SCHEMBL4389766 0.64 HRH3 (0.41) L3MBTL3L3MBTL1HRH3MBTD1
SCHEMBL24326956 0.61 HRH3 (0.50) L3MBTL3L3MBTL1HRH3
SCHEMBL7595350 0.61 HRH3 (0.50) L3MBTL3L3MBTL1HRH3CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847530-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 — — EP disclosed