SCHEMBL7408265

SCHEMBL7408265

O=C(NO)C1CCN(CCOc2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.67
DRD2 P14416 5/20 0.59
CACNA1G O43497 1/20 0.58
TMEM97 Q5BJF2 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
HTR1A P08908 1/20 0.55
HTR7 P34969 1/20 0.55
KCNA5 P22460 2/20 0.54
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL17842060 0.86 LTA4H (0.80) LTA4HTMEM97SIGMAR1HTR1AHTR7
SCHEMBL6681568 0.84 LTA4H (0.71) LTA4HDRD2CACNA1GTMEM97SIGMAR1
SCHEMBL17858461 0.84 DRD2 (0.77) LTA4HDRD2CACNA1G
SCHEMBL7135163 0.84 LTA4H (0.81) LTA4HDRD2CACNA1GKDM4E
SCHEMBL17858507 0.83 LTA4H (0.64) LTA4HDRD2TMEM97SIGMAR1HTR1A
SCHEMBL17858409 0.83 LTA4H (0.64) LTA4HCACNA1GTMEM97SIGMAR1HTR1A
SCHEMBL14204982 0.83 LTA4H (0.81) LTA4HTMEM97SIGMAR1KCNA5KDM4E
SCHEMBL7253842 0.82 HTR2A (0.64) LTA4HTMEM97SIGMAR1KCNA5KDM4E
SCHEMBL7137454 0.81 LTA4H (0.77) LTA4HTMEM97SIGMAR1KCNA5KDM4E
SCHEMBL7141718 0.80 LTA4H (1.00) LTA4H

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-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
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