SCHEMBL7032090

SCHEMBL7032090

CN1CCC(c2ccc(OS(=O)(=O)C(F)(F)F)c3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CC3)CC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.53
DRD3 P35462 9/20 0.53
HTR1D P28221 2/20 0.53
DRD4 P21917 5/20 0.46
DRD1 P21728 4/20 0.44
DRD5 P21918 4/20 0.44

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
SCHEMBL7029083 0.78 DRD2 (0.47) DRD2DRD3HTR1D
SCHEMBL338383 0.74 DRD2 (0.57) DRD2DRD3HTR1DDRD4
SCHEMBL338382 0.74 DRD2 (0.57) DRD2DRD3HTR1DDRD4
SCHEMBL21590355 0.73 DRD2 (0.64) DRD2DRD3DRD4DRD1DRD5
SCHEMBL6817140 0.71 DRD2 (0.54) DRD2DRD3DRD4
SCHEMBL840040 0.71 DRD2 (0.48) DRD2DRD3HTR1DDRD4
SCHEMBL8155591 0.71 DRD2 (0.54) DRD2DRD3DRD4
SCHEMBL7245474 0.71 DRD2 (0.54) DRD2DRD3DRD4
SCHEMBL840041 0.71 DRD2 (0.48) DRD2DRD3HTR1DDRD4
SCHEMBL7239637 0.70 DRD2 (0.42) DRD2DRD3HTR1D

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