SCHEMBL7025288

SCHEMBL7025288

CN1CCN(c2cccc3c2C[C@@H](N)CC3)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.47
DRD2 P14416 6/20 0.47
ADRA2C P18825 1/20 0.46
PLAU P00749 1/20 0.46
HTR6 P50406 2/20 0.43
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ADRA1A P35348 1/20 0.41
CYP2D6 P10635 1/20 0.40
CXCR4 P61073 1/20 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
SCHEMBL4788557 1.00 DRD3 (0.47) DRD3DRD2ADRA2CPLAUHTR6
SCHEMBL6816574 1.00 DRD3 (0.47) DRD3DRD2ADRA2CPLAUHTR6
SCHEMBL7022932 0.88 DRD3 (0.54) DRD3DRD2ADRA2CPLAUHTR6
SCHEMBL4210231 0.88 DRD3 (0.54) DRD3DRD2ADRA2CPLAUHTR6
SCHEMBL7024133 0.88 DRD3 (0.54) DRD3DRD2ADRA2CPLAUHTR6
SCHEMBL7027637 0.86 DRD2 (0.49) DRD3DRD2HTR6SIGMAR1
SCHEMBL7027642 0.86 DRD2 (0.49) DRD3DRD2HTR6SIGMAR1
SCHEMBL7021581 0.84 DRD2 (0.51) DRD3DRD2
SCHEMBL7021575 0.84 DRD2 (0.51) DRD3DRD2
SCHEMBL6819421 0.84 PLAU (0.45) DRD3DRD2PLAUHTR6SIGMAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888319-B1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRAZENECA AB (SE) 2003-01-29 EP disclosed
US-6410530-B1 CENTRAL NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS ASTRAZENECA AB (SE) 2002-06-25 US disclosed
US-6124283-A Substituted 1,2,3,4-tetrahydronaphthalene derivatives ASTRA AKTIEBOLAG (SE) 2000-09-26 US disclosed