SCHEMBL17249759

SCHEMBL17249759

N#Cc1ccc2[nH]cc(CCCN3CCNCC3)c2c1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.67
HTR1D P28221 1/20 0.64
HTR1B P28222 1/20 0.64
DRD2 P14416 1/20 0.62
HTR2A P28223 1/20 0.62

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
SCHEMBL30468393 1.00 HTR1A (0.67) HTR1AHTR1DHTR1BDRD2HTR2A
SCHEMBL3094934 0.96 HTR1A (0.68) HTR1A
SCHEMBL11358662 0.93 HTR1A (0.60) HTR1ADRD2HTR2A
SCHEMBL7956463 0.86 HTR1A (0.77) HTR1A
SCHEMBL8335869 0.86 HTR1A (0.67) HTR1ADRD2HTR2A
SCHEMBL27336161 0.86 HTR1A (0.67) HTR1A
Tert-Butyl Formate SCHEMBL27941379 0.85 HTR1A (0.59) HTR1A
SCHEMBL15586371 0.85 HTR1A (0.68) HTR1A
SCHEMBL8557189 0.84 HTR6 (0.64) HTR1A
SCHEMBL26509271 0.84 SLC6A4 (0.63) HTR1AHTR1DHTR1BDRD2HTR2A

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
CN-110511173-B Indole alkyl piperazine benzamide compound and application thereof 复旦大学 2023-06-23 CN disclosed
WO-2015169180-A1 SUBSTITUTED PIPERAZINE COMPOUNDS AND METHODS AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-11-12 WO disclosed