SCHEMBL7028328

SCHEMBL7028328

CCCN1CCN(c2cccc3c2C[C@H](NC(=O)c2ccc(N4CCOCC4)cc2)CC3)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 11/20 0.54
▸ DRD3 P35462 10/20 0.54
▸ HTR2A P28223 9/20 0.54
▸ KCNH2 Q12809 2/20 0.47
▸ SCN9A Q15858 2/20 0.47
▸ USP30 Q70CQ3 1/20 0.46
▸ DRD4 P21917 2/20 0.45
▸ MTNR1A P48039 1/20 0.45
▸ MTNR1B P49286 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.42
▸ TAOK3 Q9H2K8 1/20 0.42
▸ SCN5A Q14524 1/20 0.42
▸ HPGDS O60760 1/20 0.42

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
SCHEMBL7030820 1.00 DRD2 (0.54) DRD2DRD3HTR2AKCNH2SCN9A
SCHEMBL6819527 0.93 DRD2 (0.51) DRD2DRD3HTR2AKCNH2SCN9A
SCHEMBL6820522 0.93 DRD2 (0.51) DRD2DRD3HTR2AKCNH2SCN9A
SCHEMBL6820453 0.91 DRD2 (0.50) DRD2DRD3HTR2AKCNH2SCN9A
SCHEMBL7024053 0.91 DRD2 (0.50) DRD2DRD3HTR2AKCNH2SCN9A
SCHEMBL3830330 0.91 DRD2 (0.50) DRD2DRD3HTR2AKCNH2SCN9A
SCHEMBL7028302 0.85 DRD2 (0.54) DRD2DRD3HTR2AKCNH2SCN9A
SCHEMBL7029319 0.85 DRD2 (0.54) DRD2DRD3HTR2AKCNH2SCN9A
SCHEMBL7029323 0.85 DRD2 (0.54) DRD2DRD3HTR2AKCNH2SCN9A
SCHEMBL6820526 0.84 USP30 (0.49) DRD2DRD3HTR2AKCNH2SCN9A

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 9 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 claimed
US-6124283-A Substituted 1,2,3,4-tetrahydronaphthalene derivatives ASTRA AKTIEBOLAG (SE) 2000-09-26 — — US claimed
EP-0888319-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES Astra Aktiebolag (SE) 1999-01-07 — — EP claimed
WO-1997034883-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1997-09-25 — — WO claimed
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
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