SCHEMBL856208

SCHEMBL856208

CCCCOC(=O)NCC(C)(C)CN

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.50
EPHX1 P07099 1/20 0.43
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL8800666 0.82 ACHE (0.51) ACHEEPHX1ALDH1A1
SCHEMBL1534985 0.82 ACHE (0.53) ACHEEPHX1ALDH1A1
SCHEMBL28231754 0.80 ACHE (0.50) ACHEEPHX1ALDH1A1NPC1RAB9A
SCHEMBL8909168 0.79 ACHE (0.53) ACHEEPHX1ALDH1A1NPC1RAB9A
SCHEMBL3956624 0.79 ACHE (0.53) ACHEEPHX1ALDH1A1
SCHEMBL15775056 0.78 ACHE (0.60) ACHEEPHX1ALDH1A1
SCHEMBL970930 0.78 ACHE (0.64) ACHEEPHX1ALDH1A1
SCHEMBL28230804 0.78 ACHE (0.47) ACHEEPHX1ALDH1A1NPC1RAB9A
SCHEMBL7048610 0.77 ACHE (0.50) ACHEEPHX1ALDH1A1
SCHEMBL13037023 0.76 KDM4E (0.40) EPHX1SMN1; SMN2

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-2432760-A1 BRIDGED SPIRO [2.4]HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-28 EP disclosed
WO-2010134014-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-25 WO disclosed