SCHEMBL6560075

SCHEMBL6560075

Cc1cc(-c2ccccc2)ccc1N1CCNCC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.62
HTR7 P34969 8/20 0.60
HTR1A P08908 7/20 0.57
HTR3A P46098 3/20 0.56
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
HTR3D Q70Z44 1/20 0.56
HTR3C Q8WXA8 1/20 0.56
HTR6 P50406 5/20 0.54
HTR2A P28223 1/20 0.54
HTR5A P47898 1/20 0.54
ADRB2 P07550 1/20 0.49
NCF1 P14598 1/20 0.49
HTR2B P41595 1/20 0.48
BACE1 P56817 1/20 0.47

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
SCHEMBL6162084 0.86 HTR1A (0.57) ADRB1HTR7HTR1AHTR3AHTR3E
SCHEMBL7591674 0.82 ADRB1 (0.80) ADRB1HTR7HTR1AHTR3AHTR3E
SCHEMBL7055201 0.81 HTR7 (0.57) ADRB1HTR7HTR1AHTR3AHTR3E
SCHEMBL7059249 0.80 HTR3A (0.65) ADRB1HTR7HTR1AHTR3AHTR3E
SCHEMBL255197 0.78 HTR3A (0.67) ADRB1HTR7HTR1AHTR3AHTR3E
SCHEMBL4909469 0.77 HTR7 (0.58) ADRB1HTR7HTR1AHTR3AHTR3E
SCHEMBL6963568 0.77 HTR6 (0.65) ADRB1HTR7HTR1AHTR3AHTR3E
SCHEMBL2209183 0.77 ADRB1 (1.00) ADRB1HTR7HTR1AHTR3AHTR3E
SCHEMBL4896 0.77 ADRB1 (1.00) ADRB1HTR7HTR1AHTR3AHTR3E
SCHEMBL29432760 0.77 ADRB1 (1.00) ADRB1HTR7HTR1AHTR3AHTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1138678-B1 Process for making N-((4-phenyl) methylphenyl) piperazines DAIICHI SUNTORY PHARMA CO LTD (JP) 2004-12-22 EP disclosed
EP-1138678-A3 Process for making N-((4-phenyl) methylphenyl) piperazines SUNTORY LIMITED (JP) 2001-10-17 EP disclosed
EP-1138678-A2 Process for making N-((4-phenyl) methylphenyl) piperazines SUNTORY LIMITED (JP) 2001-10-04 EP disclosed