SCHEMBL5500642

SCHEMBL5500642

CN1CCCC1CCN1[C]N(C2CCN(Cc3ccccc3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.43
DRD4 P21917 3/20 0.43
DRD3 P35462 3/20 0.43
ACHE P22303 3/20 0.43
CCR3 P51677 1/20 0.42
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
ADRA2A P08913 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
SCHEMBL5505503 0.80 ACHE (0.46) DRD2DRD4DRD3ACHECCR3
SCHEMBL5500648 0.77 SMN1; SMN2 (0.49) DRD2DRD4DRD3ACHERECQL
SCHEMBL5505485 0.75 CYP1A2 (0.38) ADRA2A
SCHEMBL8176219 0.73 MC4R (0.56) DRD2DRD4DRD3ACHE
SCHEMBL3393340 0.73 MC4R (0.56) DRD2DRD4DRD3ACHE
SCHEMBL3393342 0.73 MC4R (0.56) DRD2DRD4DRD3ACHE
SCHEMBL4383178 0.70 DRD2 (0.42) DRD2DRD4DRD3ACHE
SCHEMBL2691261 0.69 SLC18A2 (0.70)
SCHEMBL3395798 0.69 MC4R (0.54) DRD2DRD4DRD3ACHECCR3
SCHEMBL3395802 0.69 MC4R (0.54) DRD2DRD4DRD3ACHECCR3

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