SCHEMBL6137293

SCHEMBL6137293

Oc1ccc(OCCCCCCC2COCCN2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.44
LTA4H P09960 3/20 0.39
MKNK1 Q9BUB5 2/20 0.35
ALDH2 P05091 3/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL27895402 0.77 PPARD (0.40)
SCHEMBL6609298 0.77 LTA4H (0.44) LTA4HMKNK1
SCHEMBL13093384 0.76 TAAR1 (0.46) LTA4HMKNK1
Hydrochloric Acid SCHEMBL2880210 0.75 TAAR1 (0.44) LTA4HMKNK1
SCHEMBL28801523 0.75 CA12 (0.41)
SCHEMBL7286795 0.73 ARG1 (0.34)
SCHEMBL11722232 0.72 MKNK1 (0.33) MKNK1
SCHEMBL9432433 0.72 SMN1; SMN2 (0.39)
SCHEMBL5662351 0.71 ARG1 (0.34)
SCHEMBL29197763 0.71 KDM1A (0.39) DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453816-A4 PHENOXY AMINE COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2005-02-09 EP disclosed
EP-1453816-A2 PHENOXY AMINE COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS Emisphere Technologies, Inc. (US) 2004-09-08 EP disclosed
WO-2003045306-A2 PHENOXY AMINE COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2003-06-05 WO disclosed