SCHEMBL7023935

SCHEMBL7023935

CN1CCN(c2cccc3c2C[C@H](NC(=O)c2ccc(C(=O)N4CCOCC4)cc2)CC3)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 4/20 0.48
▸ SCN9A Q15858 4/20 0.48
▸ SCN5A Q14524 3/20 0.48
▸ MTNR1A P48039 1/20 0.48
▸ MTNR1B P49286 1/20 0.48
▸ PRMT5 O14744 6/20 0.44
▸ HPGDS O60760 2/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ DRD2 P14416 2/20 0.41
▸ HTR2A P28223 2/20 0.41
▸ DRD3 P35462 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ MAPK13 O15264 1/20 0.41
▸ MAPK12 P53778 1/20 0.41
▸ MAPK11 Q15759 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ L3MBTL3 Q96JM7 1/20 0.40
▸ L3MBTL1 Q9Y468 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
SCHEMBL7024691 1.00 KCNH2 (0.48) KCNH2SCN9ASCN5AMTNR1AMTNR1B
SCHEMBL3830330 0.90 DRD2 (0.50) KCNH2SCN9ASCN5AMTNR1AMTNR1B
SCHEMBL6820453 0.90 DRD2 (0.50) KCNH2SCN9ASCN5AMTNR1AMTNR1B
SCHEMBL7024053 0.90 DRD2 (0.50) KCNH2SCN9ASCN5AMTNR1AMTNR1B
SCHEMBL7026526 0.86 KDM4E (0.57) KCNH2SCN9ASCN5AMTNR1AMTNR1B
SCHEMBL6820035 0.85 MTNR1A (0.47) KCNH2SCN9ASCN5AMTNR1AMTNR1B
SCHEMBL6820059 0.85 MTNR1A (0.47) KCNH2SCN9ASCN5AMTNR1AMTNR1B
SCHEMBL7246436 0.85 HPGDS (0.41) KCNH2SCN9ASCN5APRMT5HPGDS
SCHEMBL7246432 0.85 HPGDS (0.41) KCNH2SCN9ASCN5APRMT5HPGDS
SCHEMBL7026361 0.85 KCNH2 (0.45) KCNH2SCN9ASCN5AMTNR1AMTNR1B

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 7 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
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