SCHEMBL5505515

SCHEMBL5505515

FC1(F)CCN(CCCN[C]N2CCC(N3CCCCC3)CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.39
L3MBTL3 Q96JM7 4/20 0.37
L3MBTL1 Q9Y468 3/20 0.33
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4384521 0.75 L3MBTL3 (0.39) HRH3L3MBTL3L3MBTL1CYP1A2CYP2D6
SCHEMBL4387076 0.67 HRH3 (0.33) HRH3L3MBTL3
SCHEMBL5504819 0.64 NSD2 (0.36) HRH3L3MBTL3L3MBTL1
SCHEMBL20739932 0.64 HRH3 (0.45) HRH3L3MBTL3L3MBTL1
SCHEMBL21303806 0.63 CARM1 (0.47) HRH3L3MBTL3L3MBTL1
SCHEMBL18636712 0.63 HRH3 (0.47) HRH3L3MBTL3L3MBTL1
SCHEMBL4489186 0.63 HRH3 (0.34) HRH3
SCHEMBL2386337 0.61 FPR3 (0.32)
SCHEMBL14921181 0.61 HRH3 (0.35) HRH3CYP2D6
SCHEMBL22851679 0.61 HRH3 (0.45) HRH3L3MBTL3L3MBTL1SMN1; SMN2

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