SCHEMBL7717620

SCHEMBL7717620

NCCCCCCCCCCCC(c1ccccc1)S(N)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.48
HTR2A P28223 2/20 0.48
SLC7A5 Q01650 7/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MAOA P21397 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
CPB2 Q96IY4 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
SCHEMBL7103282 0.85 HTR2A (0.43) HTR2A
SCHEMBL20541356 0.85 HTR2A (0.43) HTR2A
SCHEMBL20541511 0.85 HTR2A (0.43) HTR2A
Hydrochloric Acid SCHEMBL320519 0.84 HRH1 (0.52) HRH1HTR2ATAAR1
SCHEMBL1837362 0.83 TP53 (0.42) HTR2A
SCHEMBL15422814 0.83 SRC (0.38) HRH1HTR2A
SCHEMBL564038 0.81 POLB (0.43) HRH1HTR2A
Sulfuric Acid SCHEMBL10683541 0.79 HRH1 (0.68) HRH1HTR2ASLC7A5MMP2MMP9
SCHEMBL3376828 0.77 TAAR1 (0.50) HRH1HTR2ATAAR1
SCHEMBL3472313 0.77 AOC3 (0.43) HRH1TAAR1

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-0865323-B1 METHOD OF ORIENTED DEPOSITING CHEMICALLY DEFINED BODIES IBM (US) 2002-11-20 EP disclosed
US-6096386-A Method of oriented depositing chemically defined bodies INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2000-08-01 US disclosed