SCHEMBL6560082

SCHEMBL6560082

Cc1c(-c2ccccc2)cccc1N1CCNCC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 10/20 0.73
HTR6 P50406 6/20 0.73
HTR1A P08908 6/20 0.73
HTR2A P28223 2/20 0.73
HTR5A P47898 2/20 0.73
ADRB1 P08588 3/20 0.63
CYP1A2 P05177 3/20 0.51
CYP2D6 P10635 3/20 0.51
HTR3A P46098 3/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
NCF1 P14598 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
MTOR P42345 1/20 0.50
HTR3D Q70Z44 1/20 0.50

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
SCHEMBL588593 0.86 ADRB1 (0.58) HTR7HTR6HTR1AHTR2AHTR5A
SCHEMBL3759275 0.84 HTR7 (1.00) HTR7HTR6HTR1AHTR2AHTR5A
SCHEMBL30022433 0.84 HTR7 (1.00) HTR7HTR6HTR1AHTR2AHTR5A
Hydrochloric Acid SCHEMBL1673713 0.83 HTR7 (0.96) HTR7HTR6HTR1AHTR2AHTR5A
SCHEMBL4914927 0.81 HTR7 (0.73) HTR7HTR6HTR1AHTR2AHTR5A
SCHEMBL4915187 0.81 HTR7 (0.73) HTR7HTR6HTR1AHTR2AHTR5A
SCHEMBL7085636 0.81 HTR7 (0.73) HTR7HTR6HTR1AHTR2AHTR5A
SCHEMBL19640696 0.79 MAPT (0.51) HTR7HTR6HTR1AHTR2AHTR5A
SCHEMBL27706644 0.79 HTR7 (0.56) HTR7HTR6HTR1AHTR2AHTR5A
SCHEMBL19640677 0.78 PDCD1 (0.49) HTR7HTR6HTR1AHTR2AHTR5A

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