SCHEMBL8961613

SCHEMBL8961613

CCCC[Sn](CCCC)(CCCC)c1ccc(OC)c(C(=O)NCC2CCCN2CC)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.68
DRD3 P35462 3/20 0.65
ADRA2B P18089 1/20 0.65
ADRA2C P18825 1/20 0.65
SLC6A4 P31645 1/20 0.65
HTR2B P41595 1/20 0.65
KCNH2 Q12809 1/20 0.65
HRH3 Q9Y5N1 1/20 0.65
CA2 P00918 2/20 0.64
DRD1 P21728 2/20 0.64
DRD4 P21917 2/20 0.64
CA9 Q16790 2/20 0.64
CYP1A2 P05177 2/20 0.64
CYP2D6 P10635 2/20 0.64
CA12 O43570 1/20 0.64
CA1 P00915 1/20 0.64
CA3 P07451 1/20 0.64
ADRA2A P08913 1/20 0.64
MAPT P10636 1/20 0.64
PTGS1 P23219 1/20 0.64

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
SCHEMBL9253650 0.90 DRD2 (0.58) DRD2DRD3ADRA2BADRA2CSLC6A4
SCHEMBL8961614 0.88 DRD3 (0.68) DRD2DRD3
SCHEMBL8961655 0.85 DRD3 (0.60) DRD2DRD3
SCHEMBL9423109 0.84 DRD2 (0.53) DRD2
SCHEMBL11054916 0.83 DRD2 (0.80) DRD2DRD3ADRA2BADRA2CSLC6A4
SCHEMBL11050065 0.81 DRD2 (1.00) DRD2DRD3ADRA2BADRA2CSLC6A4
Iodopride SCHEMBL9502371 0.81 DRD2 (0.80) DRD2DRD3ADRA2BADRA2CSLC6A4
Iodopride SCHEMBL10579084 0.81 DRD2 (0.80) DRD2DRD3ADRA2BADRA2CSLC6A4
SCHEMBL11046144 0.81 DRD2 (1.00) DRD2DRD3ADRA2BADRA2CSLC6A4
SCHEMBL11083117 0.81 DRD2 (0.77) DRD2DRD3ADRA2BADRA2CSLC6A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5480631-A Radioiodinated benzamines and method of their use as radioimaging VANDERBILT UNIVERSITY (US) 1996-01-02 US disclosed
EP-0317873-B1 RADIOIODINATED BENZAMIDES AND METHOD OF THEIR USE AS RADIOIMAGING AGENTS THE VANDERBILT UNIVERSITY (US) 1993-05-12 EP disclosed
US-5154913-A Detect, visualize, analyze distribution and function of dopamine receptors in brains VANDERBILT UNIVERSITY (US) 1992-10-13 US disclosed
EP-0317873-A1 Radioiodinated benzamides and method of their use as radioimaging agents THE VANDERBILT UNIVERSITY (US) 1989-05-31 EP disclosed