SCHEMBL7028131

SCHEMBL7028131

CCCCOc1ccc(C(=O)N[C@H]2CCc3cccc(N4CCN(C)CC4)c3C2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.72
SCN9A Q15858 4/20 0.72
TAOK3 Q9H2K8 3/20 0.57
TAOK1 Q7L7X3 3/20 0.57
GAA P10253 1/20 0.52
MAPT P10636 2/20 0.52
HSD17B10 Q99714 2/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
SCN5A Q14524 3/20 0.51
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
TP53 P04637 1/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL7020770 1.00 KCNH2 (0.72) KCNH2SCN9ATAOK3TAOK1GAA
SCHEMBL7020765 1.00 KCNH2 (0.72) KCNH2SCN9ATAOK3TAOK1GAA
SCHEMBL7026264 0.88 MTNR1A (0.59) KCNH2SCN9AGAAMAPTSCN5A
SCHEMBL7026262 0.88 MTNR1A (0.59) KCNH2SCN9AGAAMAPTSCN5A
SCHEMBL7020283 0.86 KCNH2 (0.56) KCNH2SCN9ATAOK3TAOK1GAA
SCHEMBL7020281 0.86 KCNH2 (0.56) KCNH2SCN9ATAOK3TAOK1GAA
SCHEMBL7246702 0.86 KCNH2 (0.63) KCNH2SCN9ATAOK3TAOK1GAA
SCHEMBL7246706 0.86 KCNH2 (0.63) KCNH2SCN9ATAOK3TAOK1GAA
SCHEMBL7030362 0.85 KCNH2 (0.52) KCNH2SCN9ATAOK1MAPTSCN5A
SCHEMBL7029157 0.85 KCNH2 (0.52) KCNH2SCN9ATAOK1MAPTSCN5A

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