SCHEMBL7215653

SCHEMBL7215653

CCN(C)CC(C)N(C)C.[Li]C(C)CC

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL1396453 0.88 SIGMAR1 (0.36) SIGMAR1
SCHEMBL27829147 0.79 CA12 (0.39) SIGMAR1
SCHEMBL14735285 0.74 SIGMAR1 (0.44) SIGMAR1
SCHEMBL4514697 0.72
SCHEMBL13446778 0.72
SCHEMBL5715278 0.70
SCHEMBL26780 0.67
SCHEMBL28592280 0.67 TSHR (0.43)
SCHEMBL25663957 0.67 PIK3CD (0.42) SIGMAR1
SCHEMBL25663958 0.67 PIK3CD (0.42) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1084129-B1 CYCLIC BOROPROLINE COMPOUNDS POINT THERAPEUTICS INC (US) 2003-01-22 EP disclosed
US-6355614-B1 Cyclic boroproline compounds POINT THERAPEUTICS 2002-03-12 US disclosed
EP-1084129-A1 CYCLIC BOROPROLINE COMPOUNDS Point Therapeutics, Inc. (US) 2001-03-21 EP disclosed
WO-1999062914-A1 CYCLIC BOROPROLINE COMPOUNDS POINT THERAPEUTICS, INC. (US) 1999-12-09 WO disclosed