SCHEMBL5500616

SCHEMBL5500616

CC1CCCN1CCCN1[C]N(C2CCN(Cc3ccccc3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.44
ACHE P22303 1/20 0.44
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
CCR3 P51677 1/20 0.40
KCNH2 Q12809 2/20 0.40

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
SCHEMBL5504700 0.94 ACHE (0.46) HRH3ACHEDRD2DRD4DRD3
SCHEMBL5505503 0.94 ACHE (0.46) HRH3ACHEDRD2DRD4DRD3
SCHEMBL5500621 0.78 HRH3 (0.48) HRH3ACHEDRD2DRD4DRD3
SCHEMBL5500642 0.78 DRD2 (0.43) ACHEDRD2DRD4DRD3CCR3
SCHEMBL5501529 0.76 HRH3 (0.32) HRH3
SCHEMBL5505504 0.73 SMN1; SMN2 (0.49) HRH3ACHEDRD2DRD4DRD3
SCHEMBL5504701 0.73 SMN1; SMN2 (0.49) HRH3ACHEDRD2DRD4DRD3
SCHEMBL5505497 0.73 ACHE (0.45) HRH3ACHEDRD2DRD4DRD3
SCHEMBL5504697 0.73 ACHE (0.45) HRH3ACHEDRD2DRD4DRD3
SCHEMBL5508033 0.73 HRH3 (0.42) HRH3

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