SCHEMBL5504843

SCHEMBL5504843

CC1CCN(CCCN2CCN(CCCN3CC(C)CC(C)C3)C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.44
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
PRMT1 Q99873 1/20 0.43
PRMT8 Q9NR22 1/20 0.43
KDM1A O60341 1/20 0.40
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HRH3 Q9Y5N1 5/20 0.38
ACHE P22303 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD2 P14416 1/20 0.37
CHRM3 P20309 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
POLB P06746 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
SCHEMBL5501800 0.89 ALDH1A1 (0.39) SIGMAR1KDM4ETDP1HRH3POLB
SCHEMBL5504004 0.87 HRH3 (0.41) HRH3POLB
SCHEMBL5505457 0.87 PAOX (0.37) SIGMAR1KDM1AHRH3POLB
SCHEMBL5506694 0.86 PAOX (0.36) SIGMAR1KDM1AKDM4EHRH3POLB
SCHEMBL5502432 0.86 HRH3 (0.41) KDM4EHRH3POLB
SCHEMBL5502187 0.86 HRH3 (0.44) HRH3POLB
SCHEMBL5505700 0.83 HRH3 (0.38) HRH3POLB
SCHEMBL5504842 0.83 HRH3 (0.35) SIGMAR1HRH3POLB
SCHEMBL5508190 0.83 HRH3 (0.44) KDM4EHRH3
SCHEMBL5507633 0.83 KDM4E (0.45) SIGMAR1KDM1AKDM4EHRH3CHRM2

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