SCHEMBL650847

SCHEMBL650847

CC(C)(C)N[C@@H]1CN(C(=O)O)CC[C@@H]1CO

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.32
OPRK1 P41145 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
SCHEMBL652815 1.00 LMNA (0.36) LMNASMN1; SMN2OPRK1
SCHEMBL376559 0.86 NR1H2 (0.30)
SCHEMBL1438568 0.80 LMNA (0.39) LMNASMN1; SMN2
SCHEMBL22497045 0.80 LMNA (0.39) LMNASMN1; SMN2
SCHEMBL23130508 0.78 LMNA (0.38) LMNASMN1; SMN2
SCHEMBL22441070 0.78 LMNA (0.38) LMNASMN1; SMN2
SCHEMBL22441066 0.78 LMNA (0.38) LMNASMN1; SMN2
SCHEMBL25257545 0.78 LMNA (0.30) LMNA
SCHEMBL1437707 0.76 LMNA (0.39) LMNASMN1; SMN2OPRK1
SCHEMBL28350151 0.76 LMNA (0.33) LMNA

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
US-8119635-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2012-02-21 US disclosed
EP-2298775-A1 Diazabicyclic central nervous system active agents Abbott Laboratories (US) 2011-03-23 EP disclosed
EP-2295437-A1 Diazabicyclic central nervous system active agents Abbott Laboratories (US) 2011-03-16 EP disclosed