SCHEMBL8773746

SCHEMBL8773746

NC(=O)CCN(CCOc1ccc(Cc2ccccc2)cc1)C(=O)C1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 16/20 0.54
HRH1 P35367 1/20 0.44
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL8637391 0.84 LTA4H (0.49) LTA4HHRH1KDM4EMEN1ALDH1A1
SCHEMBL8639515 0.78 LTA4H (0.49) LTA4HHRH1KDM4EMEN1ALDH1A1
SCHEMBL8637317 0.74 MBTPS1 (0.49) LTA4HHRH1
SCHEMBL8637335 0.74 LTA4H (0.56) LTA4HHRH1ITGB3ITGA2BKDM4E
SCHEMBL8674658 0.73 SLC6A2 (0.54) LTA4HHRH1KDM4EMEN1ALDH1A1
SCHEMBL8639322 0.73 SMN1; SMN2 (0.62) LTA4HHRH1KDM4EMEN1ALDH1A1
SCHEMBL8635989 0.72 SMN1; SMN2 (0.57) LTA4HHRH1ITGB3ITGA2BKDM4E
SCHEMBL24322921 0.71 LTA4H (1.00) LTA4H
SCHEMBL8640865 0.70 HRH1 (0.50) LTA4HHRH1KDM4EMEN1ALDH1A1
SCHEMBL8644228 0.70 LTA4H (0.52) LTA4HHRH1ITGB3ITGA2BKDM4E

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-0804427-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1997-11-05 EP disclosed
WO-1996011192-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1996-04-18 WO disclosed