SCHEMBL5679133

SCHEMBL5679133

CC(N)CCCCOc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.61
LTA4H P09960 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HTR1B P28222 2/20 0.48
MAOA P21397 1/20 0.46
PTGS1 P23219 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46

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
SCHEMBL5683038 1.00 KCNA3 (0.61) KCNA3LTA4HTAAR1HDAC3HDAC4
Hydrochloric Acid SCHEMBL5682884 0.98 KCNA3 (0.59) KCNA3LTA4HTAAR1HDAC3HDAC4
Hydrochloric Acid SCHEMBL5679061 0.98 KCNA3 (0.59) KCNA3LTA4HTAAR1HDAC3HDAC4
SCHEMBL6698794 0.88 KCNA3 (0.54) KCNA3LTA4HTAAR1TDP1HTR1B
SCHEMBL7786856 0.85 ALDH1A1 (0.55) TDP1LMNA
SCHEMBL3953285 0.84 KCNA3 (0.67) KCNA3LTA4HTAAR1HDAC3HDAC4
SCHEMBL11580701 0.84 KCNA3 (0.67) KCNA3LTA4HTAAR1HDAC3HDAC4
SCHEMBL23151885 0.82 KCNA3 (0.64) KCNA3LTA4HTAAR1HDAC3HDAC4
SCHEMBL12746095 0.82 KCNA3 (0.64) KCNA3LTA4HTAAR1HDAC3HDAC4
SCHEMBL11068531 0.82 KCNA3 (0.64) KCNA3LTA4HTAAR1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144348-B1 LTA 4 HYDROLASE INHIBITORS BIOPROJET SOC CIV (FR) 2006-02-08 EP claimed
EP-1144348-A3 LTA 4? HYDROLASE INHIBITORS BIOPROJET (FR) 2002-09-11 EP claimed
EP-1144348-A2 LTA 4? HYDROLASE INHIBITORS BIOPROJET (FR) 2001-10-17 EP claimed
WO-2000017133-A2 LTA4 HYDROLASE INHIBITORS BIOPROJET (FR) 2000-03-30 WO claimed
EP-1144348-B1 LTA 4 HYDROLASE INHIBITORS BIOPROJET SOC CIV (FR) 2006-02-08 EP disclosed
EP-1144348-A3 LTA 4? HYDROLASE INHIBITORS BIOPROJET (FR) 2002-09-11 EP disclosed
EP-1144348-A2 LTA 4? HYDROLASE INHIBITORS BIOPROJET (FR) 2001-10-17 EP disclosed
WO-2000017133-A2 LTA4 HYDROLASE INHIBITORS BIOPROJET (FR) 2000-03-30 WO disclosed