SCHEMBL4384867

SCHEMBL4384867

O=S(=O)(c1ccc2c(c1)CN(CCCCl)CC2)C1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
HTR7 P34969 4/20 0.39
HRH3 Q9Y5N1 2/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
F10 P00742 1/20 0.37
CNR2 P34972 1/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
MOGAT2 Q3SYC2 1/20 0.36
SLC2A1 P11166 1/20 0.36

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
SCHEMBL4387090 0.73 HTR2C (0.55) MEN1HTR2C
SCHEMBL4792242 0.71 HRH3 (0.48) DRD2DRD3HRH3
SCHEMBL4790927 0.70 HRH3 (0.47) DRD2DRD3HRH3HTR2CMOGAT2
Hydrochloric Acid SCHEMBL11467260 0.70 CA1 (0.51) DRD2DRD3HTR7
Hydrochloric Acid SCHEMBL11449803 0.69 CA12 (0.50) HTR7
Hydrochloric Acid SCHEMBL11460487 0.69 CA12 (0.50) HTR7
Hydrochloric Acid SCHEMBL11458963 0.69 CA12 (0.50) HTR7
Hydrochloric Acid SCHEMBL11449786 0.69 CA12 (0.50) HTR7
SCHEMBL5098547 0.69 HTR2C (0.58) HRH3HTR2CHTR2BSLC2A1
SCHEMBL4773893 0.69 HTR2C (0.53) DRD2DRD3HRH3HTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144405-B1 TRIAZOLE COMPOUNDS WITH DOPAMINE-D3-RECEPTOR AFFINITY ABBOTT GMBH & CO KG (DE) 2009-11-25 EP disclosed
US-6602867-B1 Triazole compounds with dopamine-D3-receptor affinity ABBOTT LABORATORIES 2003-08-05 US disclosed