SCHEMBL5686209

SCHEMBL5686209

OCCc1cccc(N2CCNCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 7/20 0.57
HTR1A P08908 6/20 0.57
ADRB1 P08588 4/20 0.54
HTR3E A5X5Y0 3/20 0.54
HTR3B O95264 3/20 0.54
HTR3A P46098 3/20 0.54
HTR3D Q70Z44 3/20 0.54
HTR3C Q8WXA8 3/20 0.54
SIGMAR1 Q99720 3/20 0.54
HTR2C P28335 3/20 0.54
THRB P10828 2/20 0.54
HTR6 P50406 2/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
HTR2A P28223 1/20 0.54
SLC6A4 P31645 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL5238064 0.94 HTR7 (0.51) HTR7HTR1AADRB1HTR3EHTR3B
SCHEMBL3204004 0.87 HTR7 (0.60) HTR7HTR1AADRB1HTR3EHTR3B
Hydrochloric Acid SCHEMBL6409641 0.85 HTR7 (0.58) HTR7HTR1AADRB1HTR3EHTR3B
Hydrochloric Acid SCHEMBL6504153 0.85 HTR7 (0.58) HTR7HTR1AADRB1HTR3EHTR3B
SCHEMBL4806907 0.85 AGXT (0.58) HTR7SIGMAR1DRD2DRD3ALDH1A1
SCHEMBL13118658 0.81 HTR7 (0.67) HTR7HTR1AADRB1HTR3EHTR3B
SCHEMBL301359 0.80 ADRB1 (0.62) HTR7HTR1AADRB1HTR3EHTR3B
SCHEMBL7415117 0.80 HTR7 (0.62) HTR7HTR1AADRB1HTR3EHTR3B
SCHEMBL27475990 0.80 HTR7 (0.60) HTR7HTR1AADRB1HTR3EHTR3B
SCHEMBL10021784 0.80 HTR7 (0.60) HTR7HTR1AADRB1HTR3EHTR3B

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-1645556-A1 Arylpiperazine-benzoylamide derivatives useful as pharmaceutical agents Boehringer Ingelheim International GmbH (DE) 2006-04-12 EP disclosed