SCHEMBL5500538

SCHEMBL5500538

CN1CCN(CCCN2CCN(CCCN3CCCC3)C2)CC1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.50
PAOX Q6QHF9 1/20 0.44
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
CSNK2A3 Q8NEV1 1/20 0.43
SIGMAR1 Q99720 1/20 0.41
MAPT P10636 2/20 0.40
KDM1A O60341 1/20 0.40
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
CXCR4 P61073 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
SCHEMBL5510919 0.98 HRH3 (0.48) HRH3PAOXCSNK2A2CSNK2BCSNK2A1
SCHEMBL5507506 0.98 HRH3 (0.48) HRH3PAOXCSNK2A2CSNK2BCSNK2A1
SCHEMBL12578821 0.93 HRH3 (0.57) HRH3PAOXCSNK2A2CSNK2BCSNK2A1
SCHEMBL3437038 0.90 HRH3 (0.62) HRH3PAOXCSNK2A2CSNK2BCSNK2A1
SCHEMBL13887133 0.88 HRH3 (0.52) HRH3PAOXCSNK2A2CSNK2BCSNK2A1
SCHEMBL14500306 0.84 PAOX (0.54) HRH3PAOXCSNK2A2CSNK2BCSNK2A1
SCHEMBL6657767 0.84 PAOX (0.54) HRH3PAOXCSNK2A2CSNK2BCSNK2A1
SCHEMBL27100152 0.83 CHKA (0.47) SIGMAR1PRMT6
SCHEMBL2616296 0.82 PRMT6 (0.48) HRH3PAOXSIGMAR1KDM1ACARM1
SCHEMBL13334876 0.82 HRH3 (0.63) HRH3SIGMAR1MAPTCARM1PRMT6

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