SCHEMBL7028628

SCHEMBL7028628

CN1CCN(c2cccc3c2CC(=O)CC3)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.47
DRD2 P14416 5/20 0.47
HTR6 P50406 3/20 0.47
EGFR P00533 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
HTR1A P08908 2/20 0.44
DRD4 P21917 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
ADRA2C P18825 2/20 0.44
CYP2A6 P11509 1/20 0.42
TIPARP Q7Z3E1 1/20 0.41
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
ADRA2A P08913 1/20 0.39

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
SCHEMBL5366513 0.79 NAMPT (0.46) LMNAMAPTMAPK1KMT2ATMEM97
SCHEMBL14591333 0.77 HTR1A (0.54) DRD3DRD2HTR6EGFRLMNA
SCHEMBL2056184 0.77 HTR1A (0.51) DRD3DRD2HTR6EGFRLMNA
SCHEMBL5675675 0.75 DRD2 (0.41) DRD3DRD2HTR6KMT2ATMEM97
SCHEMBL7480042 0.74 DRD3 (0.44) DRD3DRD2HTR6EGFRLMNA
SCHEMBL7480055 0.74 DRD3 (0.44) DRD3DRD2HTR6EGFRLMNA
SCHEMBL12853760 0.73 DRD3 (0.60) DRD3DRD2HTR6EGFRLMNA
SCHEMBL21744255 0.72 MAOA (0.53) DRD3DRD2HTR6TMEM97SIGMAR1
SCHEMBL5690250 0.72 PNMT (0.50) DRD3DRD2HTR6TMEM97SIGMAR1
SCHEMBL23055638 0.71 DRD3 (0.56) DRD3DRD2HTR6EGFRLMNA

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 5 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
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