SCHEMBL7029145

SCHEMBL7029145

CN1CCN(c2cccc3c2CC(NC(=O)c2ccccc2OS(C)(=O)=O)CC3)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.49
MTNR1B P49286 8/20 0.49
DRD4 P21917 5/20 0.47
DRD2 P14416 4/20 0.47
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DRD3 P35462 1/20 0.40
KCNH2 Q12809 2/20 0.40
SCN9A Q15858 2/20 0.40
SCN5A Q14524 1/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 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
SCHEMBL7029144 1.00 MTNR1A (0.49) MTNR1AMTNR1BDRD4DRD2CYP1A2
SCHEMBL7024650 0.86 MTNR1A (0.50) MTNR1AMTNR1BDRD4DRD2CYP1A2
SCHEMBL7024651 0.86 MTNR1A (0.50) MTNR1AMTNR1BDRD4DRD2CYP1A2
SCHEMBL7027946 0.84 KCNH2 (0.52) MTNR1AMTNR1BDRD4DRD2CYP1A2
SCHEMBL7027944 0.84 KCNH2 (0.52) MTNR1AMTNR1BDRD4DRD2CYP1A2
SCHEMBL7483377 0.84 KCNH2 (0.53) MTNR1AMTNR1BDRD4DRD2CYP1A2
SCHEMBL7023560 0.83 NPC1 (0.48) MTNR1AMTNR1BDRD4DRD2ALOX15
SCHEMBL7023556 0.83 NPC1 (0.48) MTNR1AMTNR1BDRD4DRD2ALOX15
SCHEMBL7024065 0.83 MTNR1A (0.47) MTNR1AMTNR1BDRD4DRD2CYP1A2
SCHEMBL7024074 0.83 MTNR1A (0.47) MTNR1AMTNR1BDRD4DRD2CYP1A2

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