SCHEMBL1744007

SCHEMBL1744007

CC1(C)CCc2c(cncc2-c2nc(-c3ccc(CCCC(=O)OC(N)Cc4ccc(-c5noc(-c6cncc7c6CCC(C)(C)C7)n5)cc4)cc3)no2)C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 15/20 0.36
S1PR1 P21453 5/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
S1PR5 Q9H228 3/20 0.34
S1PR4 O95977 2/20 0.34
S1PR3 Q99500 1/20 0.33

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
SCHEMBL1338576 0.88 S1PR1 (0.40) S1PR1NPC1ALDH1A1MAPTNFKB1
SCHEMBL1336492 0.85 S1PR1 (0.41) S1PR1NPC1ALDH1A1MAPTNFKB1
SCHEMBL1337475 0.84 S1PR1 (0.46) S1PR1S1PR5S1PR4S1PR3
SCHEMBL1744005 0.83 S1PR1 (0.39) S1PR1NPC1ALDH1A1MAPTNFKB1
SCHEMBL1337394 0.83 S1PR1 (0.42) S1PR1NPC1ALDH1A1MAPTNFKB1
SCHEMBL1337453 0.80 NPC1 (0.39) S1PR1NPC1ALDH1A1MAPTNFKB1
SCHEMBL1743920 0.78 S1PR1 (0.37) S1PR1S1PR5S1PR3
SCHEMBL1337688 0.76 S1PR1 (0.41) S1PR1S1PR5S1PR3
SCHEMBL12129820 0.75 ALDH1A1 (0.42) S1PR1NPC1ALDH1A1MAPTNFKB1
SCHEMBL1338057 0.73 S1PR1 (0.46) S1PR1ALDH1A1S1PR5S1PR3

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-2387571-A1 OXADIAZOLE DERIVATIVES AS SLPL RECEPTOR AGONISTS Almirall S.A. (ES) 2011-11-23 EP disclosed
US-8041930-B2 Data processing apparatus and method for controlling thread access of register sets when selectively operating in secure and non-secure domains ARM LIMITED (GB) 2011-10-18 US disclosed
WO-2010081692-A1 OXADIAZOLE DERIVATIVES AS SLPL RECEPTOR AGONISTS ALMIRALL, S.A. (ES) 2010-07-22 WO disclosed