SCHEMBL7029083

SCHEMBL7029083

CN1CCC(c2cccc3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CC3)CC1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
DRD3 P35462 1/20 0.47
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
HTR6 P50406 2/20 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
SCHEMBL6816670 0.82 DRD2 (0.48) DRD2DRD3HTR1DHTR1B
SCHEMBL8157601 0.82 DRD2 (0.48) DRD2DRD3HTR1DHTR1B
SCHEMBL7030108 0.82 DRD2 (0.48) DRD2DRD3HTR1DHTR1B
SCHEMBL840757 0.78 DRD2 (0.51) DRD2DRD3HTR1DHTR1B
SCHEMBL7032090 0.78 DRD2 (0.53) DRD2DRD3HTR1D
SCHEMBL4788734 0.78 DRD2 (0.49) DRD2DRD3HTR1DHTR1B
SCHEMBL7031018 0.77 DRD2 (0.71) DRD2DRD3
SCHEMBL6820053 0.77 DRD2 (0.71) DRD2DRD3
SCHEMBL6820475 0.76 DRD2 (0.51) DRD2DRD3HTR1DHTR1B
SCHEMBL8158925 0.76 HTR1A (0.65) DRD2DRD3HTR1DHTR1B

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