SCHEMBL3482338

SCHEMBL3482338

O=[N+]([O-])c1ccccc1N1CCN(CCCc2ccccc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.72
DRD2 P14416 4/20 0.57
DRD4 P21917 1/20 0.57
DRD3 P35462 1/20 0.57
HTR1A P08908 4/20 0.56
HTR2A P28223 3/20 0.56
HTR7 P34969 3/20 0.56
HTR6 P50406 3/20 0.56

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
SCHEMBL8828404 0.84 DRD2 (0.59) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL27351820 0.84 DRD2 (0.58) SIGMAR1DRD2DRD4DRD3HTR1A
SCHEMBL4520581 0.83 KMT2A (0.61) SIGMAR1DRD2DRD4DRD3HTR1A
SCHEMBL9612238 0.83 DRD2 (0.62) SIGMAR1DRD2DRD4DRD3HTR1A
SCHEMBL3210395 0.83 DRD2 (0.60) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL23536279 0.81 HTR1A (0.58) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL9155290 0.81 HTR1A (0.58) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL29932017 0.81 HTR1A (0.58) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL3210388 0.81 DRD2 (0.59) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL18118448 0.80 DRD2 (0.58) DRD2DRD4DRD3HTR1AHTR2A

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-2150550-A1 NOVEL CARBAMOYLOXY ARYL ALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK Holdings Co., Ltd. (KR) 2010-02-10 EP disclosed
WO-2008140197-A1 NOVEL CARBAMOYLOXY ARYL ALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK HOLDINGS CO., LTD. (KR) 2008-11-20 WO disclosed