SCHEMBL7104915

SCHEMBL7104915

[AsH2]c1cccc2c1CC[C@@H](N(Cc1ccccc1)Cc1ccccc1)C2

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.59
DRD3 P35462 7/20 0.59
DRD4 P21917 5/20 0.49
DRD1 P21728 4/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
THPO P40225 1/20 0.49
LMNA P02545 1/20 0.48
PMP22 Q01453 1/20 0.48
HTR1A P08908 3/20 0.48
HTR7 P34969 3/20 0.48
DRD5 P21918 1/20 0.45
ADRB2 P07550 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
SCHEMBL7020915 0.83 DRD2 (0.59) DRD2DRD3DRD4DRD1CYP1A2
SCHEMBL7029720 0.83 DRD2 (0.68) DRD2DRD3DRD4DRD1CYP1A2
SCHEMBL7022473 0.83 DRD2 (0.59) DRD2DRD3DRD4DRD1CYP1A2
SCHEMBL7024427 0.83 DRD2 (0.68) DRD2DRD3DRD4DRD1CYP1A2
SCHEMBL7026910 0.80 DRD2 (0.84) DRD2DRD3DRD4HTR1A
SCHEMBL7022890 0.80 DRD2 (0.84) DRD2DRD3DRD4HTR1A
SCHEMBL6820464 0.78 DRD2 (0.57) DRD2DRD3DRD4DRD1CYP1A2
SCHEMBL7030804 0.77 DRD2 (0.56) DRD2DRD3DRD4DRD1CYP1A2
SCHEMBL7025402 0.77 DRD2 (0.56) DRD2DRD3DRD4DRD1CYP1A2
SCHEMBL7328502 0.76 DRD2 (0.61) DRD2DRD3DRD4DRD1CYP1A2

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 1 patent. 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