SCHEMBL5510683

SCHEMBL5510683

CCCN1CCN(c2cccc(OS(=O)(=O)C(OS(C)(=O)=O)c3cccc(N4CCN(CC)CC4)c3C)c2C)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.43
DRD3 P35462 5/20 0.38
HTR6 P50406 3/20 0.38
HTR1A P08908 2/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL5499969 0.92 HTR1A (0.36) DRD2DRD3HTR6HTR1ATSHR
SCHEMBL2782811 0.81 DRD2 (0.56) DRD2DRD3HTR6HTR1ATSHR
SCHEMBL2781544 0.79 TSHR (0.48) DRD2DRD3HTR6TSHRMAPK1
SCHEMBL2780978 0.73 DRD2 (0.52) DRD2DRD3HTR6
SCHEMBL5501923 0.73 DRD2 (0.39) DRD2DRD3HTR6HTR1A
SCHEMBL2783198 0.71 HTR1A (0.46) DRD2DRD3HTR1AALDH1A1NPSR1
SCHEMBL2783830 0.71 DRD2 (0.45) DRD2DRD3HTR6TSHRMAPK1
SCHEMBL2783275 0.69 DRD2 (0.55) DRD2DRD3HTR6HTR1A
SCHEMBL2783581 0.69 DRD2 (0.61) DRD2DRD3HTR6HTR1A
SCHEMBL2783014 0.69 DRD2 (0.57) DRD2DRD3HTR6HTR1AALDH1A1

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-1773772-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2007-04-18 EP disclosed
WO-2005121087-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2005-12-22 WO disclosed