SCHEMBL7026953

SCHEMBL7026953

CN1CCN(c2cccc3c2C[C@H](NC(=O)c2cccc(OS(C)(=O)=O)c2)CC3)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.48
MTNR1B P49286 2/20 0.48
DRD2 P14416 8/20 0.45
DRD3 P35462 7/20 0.45
KCNH2 Q12809 3/20 0.45
SCN9A Q15858 3/20 0.45
SCN5A Q14524 2/20 0.45
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 1/20 0.42
WDR5 P61964 1/20 0.42
DRD4 P21917 1/20 0.41
RAB9A P51151 2/20 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
SCHEMBL7026958 1.00 MTNR1A (0.48) MTNR1AMTNR1BDRD2DRD3KCNH2
SCHEMBL7027946 0.91 KCNH2 (0.52) MTNR1AMTNR1BDRD2DRD3KCNH2
SCHEMBL7027944 0.91 KCNH2 (0.52) MTNR1AMTNR1BDRD2DRD3KCNH2
SCHEMBL7023930 0.87 NPC1 (0.56) MTNR1AMTNR1BDRD2KCNH2SCN9A
SCHEMBL7023936 0.87 NPC1 (0.56) MTNR1AMTNR1BDRD2KCNH2SCN9A
SCHEMBL7026344 0.84 MTNR1A (0.52) MTNR1AMTNR1BDRD2KCNH2SCN9A
SCHEMBL7026340 0.84 MTNR1A (0.52) MTNR1AMTNR1BDRD2KCNH2SCN9A
SCHEMBL7027930 0.83 MTNR1A (0.65) MTNR1AMTNR1BDRD2DRD3KCNH2
SCHEMBL7027929 0.83 MTNR1A (0.65) MTNR1AMTNR1BDRD2DRD3KCNH2
SCHEMBL7029145 0.83 MTNR1A (0.49) MTNR1AMTNR1BDRD2DRD3KCNH2

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