SCHEMBL7023743

SCHEMBL7023743

CN1CCC(c2cccc3c2C[C@H](N)CC3)CC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.46
DRD3 P35462 3/20 0.46
HTR6 P50406 2/20 0.45
PLAU P00749 1/20 0.45
SIGMAR1 Q99720 3/20 0.41
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
ADRA1A P35348 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
SCHEMBL7023748 1.00 DRD2 (0.46) DRD2DRD3HTR6PLAUSIGMAR1
SCHEMBL7240418 0.81 ADRA1A (0.64) DRD2DRD3ADRA1A
SCHEMBL7240416 0.81 ADRA1A (0.64) DRD2DRD3ADRA1A
SCHEMBL7025288 0.78 DRD3 (0.47) DRD2DRD3HTR6PLAUSIGMAR1
SCHEMBL6816574 0.78 DRD3 (0.47) DRD2DRD3HTR6PLAUSIGMAR1
SCHEMBL4788557 0.78 DRD3 (0.47) DRD2DRD3HTR6PLAUSIGMAR1
SCHEMBL4786874 0.76 DRD2 (0.52) DRD2DRD3PLAUADRA1A
SCHEMBL4747507 0.76 HTR6 (0.40) DRD2DRD3HTR6HTR1A
SCHEMBL7029083 0.73 DRD2 (0.47) DRD2DRD3HTR6
SCHEMBL14591309 0.73 PLAU (0.55) DRD2DRD3PLAUADRA1A

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 5 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
EP-0888319-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES Astra Aktiebolag (SE) 1999-01-07 EP disclosed
WO-1997034883-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1997-09-25 WO disclosed