SCHEMBL4776843

SCHEMBL4776843

COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc(C)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.94
HTR7 P34969 10/20 0.94
HTR2A P28223 3/20 0.94
SLC6A4 P31645 1/20 0.94
HTR2B P41595 1/20 0.94
KCNH2 Q12809 1/20 0.94
HTR2C P28335 2/20 0.84
DRD2 P14416 5/20 0.79
DRD4 P21917 1/20 0.79
ADRA1D P25100 1/20 0.79
ADRA1A P35348 1/20 0.79
ADRA1B P35368 1/20 0.79
DRD3 P35462 1/20 0.79
ADRA2A P08913 5/20 0.76
HTR6 P50406 3/20 0.76
MBTD1 Q05BQ5 1/20 0.62
L3MBTL1 Q9Y468 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
SCHEMBL1388009 0.92 HTR1A (0.86) HTR1AHTR7HTR2ASLC6A4HTR2B
SCHEMBL13944278 0.88 HTR1A (0.78) HTR1AHTR7HTR2ASLC6A4HTR2B
SCHEMBL13944277 0.88 HTR1A (0.78) HTR1AHTR7HTR2ASLC6A4HTR2B
SCHEMBL7463357 0.84 HTR7 (0.70) HTR1AHTR7HTR2ASLC6A4HTR2B
SCHEMBL11867601 0.84 HTR1A (0.70) HTR1AHTR7HTR2ASLC6A4HTR2B
Hydrochloric Acid SCHEMBL7468464 0.83 HTR1A (0.69) HTR1AHTR7HTR2ASLC6A4HTR2B
Hydrochloric Acid SCHEMBL11866638 0.83 HTR7 (0.69) HTR1AHTR7HTR2ASLC6A4HTR2B
SCHEMBL11676714 0.81 HTR1A (0.64) HTR1AHTR7HTR2ASLC6A4HTR2B
SCHEMBL1383370 0.81 HTR1A (0.72) HTR1AHTR7HTR2ASLC6A4HTR2B
SCHEMBL1382312 0.79 HTR1A (1.00) HTR1AHTR7HTR2ASLC6A4HTR2B

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-1902044-A1 5-HTX MODULATORS Bio Medisinsk Innovasjon AS (NO) 2008-03-26 EP disclosed
WO-2007007072-A1 5-HTX MODULATORS BIO-MEDISINSK INNOVASJON AS (NO) 2007-01-18 WO disclosed