SCHEMBL7349980

SCHEMBL7349980

ClCc1ccc(OCCC2CNCCO2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.41
SLC6A2 P23975 7/20 0.41
SLC6A3 Q01959 5/20 0.41
HTR2A P28223 4/20 0.41
HTR2B P41595 2/20 0.41
ADRB2 P07550 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA2C P18825 1/20 0.41
MKNK1 Q9BUB5 1/20 0.38
HRH1 P35367 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR3A P46098 1/20 0.37
HPGD P15428 1/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
LTA4H P09960 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35

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
SCHEMBL7216614 0.85 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3HTR2AHTR2B
SCHEMBL2761385 0.83 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3HTR2AHTR2B
SCHEMBL5116224 0.83 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3HTR2AHTR2B
SCHEMBL6941071 0.81 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3HTR2AHTR2B
SCHEMBL9385927 0.80 MEN1 (0.48)
SCHEMBL7324975 0.80 HPGD (0.46) SLC6A4SLC6A2SLC6A3HTR2AHTR2B
SCHEMBL30428624 0.78 REN (0.39) SLC6A4SLC6A2SLC6A3HTR2AHTR2B
Hydrochloric Acid SCHEMBL28252521 0.77 SLC6A2 (0.40) SLC6A4SLC6A2SLC6A3HTR2AHTR2B
SCHEMBL11716518 0.76 NR4A1 (0.41) SLC6A4SLC6A2SLC6A3HTR2AHTR2B
SCHEMBL2761991 0.75 CHEK1 (0.39) SLC6A4SLC6A2SLC6A3HTR2AHTR2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054858-A1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED-ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2000-11-29 EP disclosed
EP-0970046-A1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2000-01-12 EP disclosed
WO-1999042436-A1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED-ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-08-26 WO disclosed
WO-1998038163-A1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1998-09-03 WO disclosed