SCHEMBL3693644

SCHEMBL3693644

CC(C)(C)N(C(=O)O)N1CCC=C(CO)C1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 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
SCHEMBL3684865 0.88
SCHEMBL3686840 0.72 KMT2A (0.41)
SCHEMBL30449001 0.69 CHRNB2 (0.33) CHRNB2CHRNA4
SCHEMBL477281 0.68 ALDH1A1 (0.33)
SCHEMBL11201485 0.66 LMNA (0.33)
SCHEMBL4058036 0.64 SIGMAR1 (0.34) CHRNB2CHRNA4
SCHEMBL19947572 0.60
SCHEMBL1785410 0.58 MAPT (0.32)
SCHEMBL3690670 0.58 CYP2D6 (0.33)
SCHEMBL22849543 0.56 HSD11B1 (0.37) CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2239260-A1 Novel compounds with antibacterial activity Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2010-10-13 EP disclosed