SCHEMBL5358095

SCHEMBL5358095

CS(=O)(=O)[C@H]1CNCCN1c1cccc(-c2ccccc2)c1F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.47
HTR2B P41595 10/20 0.47
HTR2A P28223 8/20 0.41
HTR7 P34969 2/20 0.41
HTR6 P50406 2/20 0.41
HTR1A P08908 1/20 0.41
HTR5A P47898 1/20 0.41
CYP2D6 P10635 4/20 0.38
SLC6A2 P23975 4/20 0.38
SLC6A4 P31645 4/20 0.38
SLC6A3 Q01959 4/20 0.38
ADRB1 P08588 1/20 0.36

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
SCHEMBL5358102 1.00 HTR2C (0.47) HTR2CHTR2BHTR2AHTR7HTR6
SCHEMBL4881120 0.82 HTR2C (0.52) HTR2CHTR2BHTR2AHTR7HTR6
SCHEMBL4884861 0.82 HTR2C (0.52) HTR2CHTR2BHTR2AHTR7HTR6
SCHEMBL4887832 0.82 HTR2C (0.52) HTR2CHTR2BHTR2AHTR7HTR6
SCHEMBL5509277 0.76 ADRB1 (0.46) HTR2CHTR2BHTR2AHTR7HTR6
SCHEMBL14837584 0.71 ADRB1 (0.52) HTR2CHTR2BHTR2AHTR6HTR1A
SCHEMBL4914927 0.71 HTR7 (0.73) HTR2BHTR2AHTR7HTR6HTR1A
SCHEMBL5509224 0.71 ADRB1 (0.39) HTR2CHTR2BHTR2AHTR6SLC6A2
Hydrochloric Acid SCHEMBL27828370 0.70 HTR2C (0.46) HTR2CHTR2BHTR2AHTR7HTR6
SCHEMBL28623340 0.70 NSD2 (0.46) HTR2CHTR2BHTR2AADRB1

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
WO-2006065706-A9 N-BIARYL AND N-ARYLHETEROARYL 2-SUBSTITUTED PIPERAZINE DERIVATIVES AS MODULATORS OF THE 5HT2C RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2007-07-26 WO disclosed