SCHEMBL7028644

SCHEMBL7028644

Nc1cccc2c1C[C@@H](N(Cc1ccccc1)Cc1ccccc1)CC2

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.51
DRD3 P35462 3/20 0.50
HTR1D P28221 3/20 0.48
HTR1B P28222 2/20 0.48
HTR1A P08908 3/20 0.45
HTR7 P34969 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
HTR2B P41595 1/20 0.45
HTR5A P47898 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
SCHEMBL6820475 1.00 DRD2 (0.51) DRD2DRD3HTR1DHTR1BHTR1A
SCHEMBL8158029 1.00 DRD2 (0.51) DRD2DRD3HTR1DHTR1BHTR1A
SCHEMBL7020915 0.89 DRD2 (0.59) DRD2DRD3HTR1AHTR7CYP1A2
SCHEMBL7022473 0.89 DRD2 (0.59) DRD2DRD3HTR1AHTR7CYP1A2
SCHEMBL841913 0.83 DRD2 (0.51) DRD2DRD3HTR1DHTR1BHTR1A
SCHEMBL7023248 0.83 HTR1A (0.65) DRD2DRD3HTR1DHTR1BHTR1A
SCHEMBL8158925 0.83 HTR1A (0.65) DRD2DRD3HTR1DHTR1BHTR1A
SCHEMBL6820459 0.83 HTR1A (0.65) DRD2DRD3HTR1DHTR1BHTR1A
SCHEMBL841912 0.83 DRD2 (0.51) DRD2DRD3HTR1DHTR1BHTR1A
SCHEMBL841199 0.83 DRD2 (0.51) DRD2DRD3HTR1DHTR1BHTR1A

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