SCHEMBL2634066

SCHEMBL2634066

CC(C)(C)OC(=O)[N+]1(N2CCCC2)CCCC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.35
CTSK P43235 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PREP P48147 2/20 0.32
EPHX1 P07099 1/20 0.30

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
Hydrochloric Acid SCHEMBL8480332 0.84 CA2 (0.33) HPGD
SCHEMBL6608329 0.72 HPGD (0.32) HPGDCTSKEPHX1
SCHEMBL14896297 0.70 DGAT1 (0.32) CTSKUSP2SMN1; SMN2
SCHEMBL2064367 0.70 HPGD (0.33) HPGDCTSKUSP2SMN1; SMN2EPHX1
SCHEMBL5568399 0.68 HPGD (0.32) HPGDCTSKEPHX1
SCHEMBL2785917 0.68 DGAT1 (0.31) CTSK
SCHEMBL4623345 0.67 ALDH1A1 (0.33) SMN1; SMN2
SCHEMBL2434403 0.67 BTK (0.31)
SCHEMBL5421441 0.67 HPGD (0.31) HPGD
SCHEMBL136090 0.67 HPGD (0.31) HPGD

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-2569304-A1 SUBSTITUTED N-HETEROARYL SPIROLACTAM BIPYRROLIDINES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-20 EP disclosed
WO-2011143148-A1 SUBSTITUTED N-HETEROARYL SPIROLACTAM BIPYRROLIDINES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-11-17 WO disclosed