SCHEMBL7020283

SCHEMBL7020283

CCCCOc1ccc(C(=O)NC2CCc3cccc(C4CCN(C)CC4)c3C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.56
SCN9A Q15858 1/20 0.56
TAOK1 Q7L7X3 7/20 0.56
TAOK3 Q9H2K8 6/20 0.56
MTNR1A P48039 2/20 0.48
MTNR1B P49286 2/20 0.48
GAA P10253 1/20 0.48
SLC6A5 Q9Y345 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTR2A P28223 1/20 0.44
DRD3 P35462 1/20 0.44
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43

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
SCHEMBL7020281 1.00 KCNH2 (0.56) KCNH2SCN9ATAOK1TAOK3MTNR1A
SCHEMBL7028131 0.86 KCNH2 (0.72) KCNH2SCN9ATAOK1TAOK3MTNR1A
SCHEMBL7020770 0.86 KCNH2 (0.72) KCNH2SCN9ATAOK1TAOK3MTNR1A
SCHEMBL7020765 0.86 KCNH2 (0.72) KCNH2SCN9ATAOK1TAOK3MTNR1A
SCHEMBL4788553 0.86 KCNH2 (0.55) KCNH2SCN9ATAOK1TAOK3MTNR1A
SCHEMBL7024601 0.82 HTR2A (0.54) KCNH2SCN9AMTNR1AMTNR1BSLC6A5
SCHEMBL7027975 0.82 HTR2A (0.54) KCNH2SCN9AMTNR1AMTNR1BSLC6A5
SCHEMBL7029768 0.80 HTR2A (0.56) TAOK3MTNR1AMTNR1BHTR2ADRD3
SCHEMBL7024708 0.80 HTR2A (0.56) TAOK3MTNR1AMTNR1BHTR2ADRD3
SCHEMBL7246706 0.76 KCNH2 (0.63) KCNH2SCN9ATAOK1TAOK3GAA

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-6410530-B1 CENTRAL NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS ASTRAZENECA AB (SE) 2002-06-25 US 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