SCHEMBL3926153

SCHEMBL3926153

CC1(C)CCC(OC(=O)CC[C@H](N)C(=O)OC2CCC(C)(C)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
BLM P54132 1/20 0.45
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
ST6GAL1 P15907 1/20 0.37
NAAA Q02083 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
CYP2C19 P33261 1/20 0.33
GPBAR1 Q8TDU6 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL8647815 0.88 BLM (0.45) LMNABLMGRIN1GRIN2BST6GAL1
SCHEMBL3926151 0.88 BLM (0.48) LMNABLMGRIN1GRIN2BST6GAL1
SCHEMBL10935602 0.86 NAAA (0.39) BLMGRIN1GRIN2BST6GAL1NAAA
SCHEMBL29202853 0.81 NAAA (0.49) LMNAGRIN1GRIN2BNAAASMN1; SMN2
Hydrochloric Acid SCHEMBL9585390 0.77 LMNA (0.51) LMNABLMGRIN1GRIN2BST6GAL1
SCHEMBL7370717 0.76 LMNA (0.36) LMNABLMNAAASMN1; SMN2CYP2C19
SCHEMBL8059341 0.76 NAAA (0.50) NAAASMN1; SMN2CYP2C19ALDH1A1
SCHEMBL7373342 0.76 LMNA (0.38) LMNABLMNAAACYP2C19
SCHEMBL7375190 0.73 LMNA (0.34) LMNABLMNAAA
SCHEMBL3448590 0.73 SLC1A1 (0.50) BLMGRIN1GRIN2BNAAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940376-A2 USE OF NEBOGLAMINE IN THE TREATMENT OF TOXICODEPENDENCY ROTTAPHARM S.P.A. (IT) 2008-07-09 EP claimed
WO-2007039869-A2 USE OF NEBOGLAMINE IN THE TREATMENT OF TOXICODEPENDENCY ROTTAPHARM S.P.A. (IT) 2007-04-12 WO claimed
EP-1940376-B1 USE OF NEBOGLAMINE IN THE TREATMENT OF TOXICODEPENDENCY ROTTAPHARM SPA (IT) 2009-03-18 EP disclosed
EP-1940376-A2 USE OF NEBOGLAMINE IN THE TREATMENT OF TOXICODEPENDENCY ROTTAPHARM S.P.A. (IT) 2008-07-09 EP disclosed
WO-2007039869-A3 USE OF NEBOGLAMINE IN THE TREATMENT OF TOXICODEPENDENCY ROTTAPHARM SPA (IT) 2007-07-05 WO disclosed
WO-2007039869-A2 USE OF NEBOGLAMINE IN THE TREATMENT OF TOXICODEPENDENCY ROTTAPHARM S.P.A. (IT) 2007-04-12 WO disclosed