SCHEMBL7025581

SCHEMBL7025581

CCCCCN1CCN(c2cccc3c2C[C@H](N)CC3)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
HTR1A P08908 2/20 0.49
DRD2 P14416 3/20 0.47
DRD3 P35462 3/20 0.47
DPP4 P27487 1/20 0.46
DRD4 P21917 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45

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
SCHEMBL7025590 1.00 KDM4E (0.51) KDM4ELMNAHTR1ADRD2DRD3
SCHEMBL7029875 0.99 KDM4E (0.53) KDM4ELMNAHTR1ADRD2DRD3
SCHEMBL7029878 0.99 KDM4E (0.53) KDM4ELMNAHTR1ADRD2DRD3
SCHEMBL7021575 0.96 DRD2 (0.51) KDM4ELMNAHTR1ADRD2DRD3
SCHEMBL7021581 0.96 DRD2 (0.51) KDM4ELMNAHTR1ADRD2DRD3
SCHEMBL7027637 0.91 DRD2 (0.49) DRD2DRD3DPP4
SCHEMBL7027642 0.91 DRD2 (0.49) DRD2DRD3DPP4
SCHEMBL6816574 0.83 DRD3 (0.47) DRD2DRD3
SCHEMBL4788557 0.83 DRD3 (0.47) DRD2DRD3
SCHEMBL7025288 0.83 DRD3 (0.47) DRD2DRD3

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