SCHEMBL8986416

SCHEMBL8986416

CC(C)(C)OC(=O)C1CC(c2ccc(N)cc2)CCN1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.37
MASP2 O00187 5/20 0.36
F2 P00734 7/20 0.35
SCN9A Q15858 2/20 0.33
SCN3A Q9NY46 1/20 0.33
SCN5A Q14524 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL7306243 0.80 KDM1A (0.36) SLC6A3
SCHEMBL3547216 0.75 NPC1 (0.40)
SCHEMBL3547219 0.75 NPC1 (0.40)
SCHEMBL7359958 0.73 MAPK1 (0.36)
SCHEMBL22152561 0.73 MAPK1 (0.36)
SCHEMBL7379626 0.73 MAPK1 (0.36)
SCHEMBL28466500 0.73 GFER (0.40) SCN9ASCN3A
SCHEMBL27756721 0.73 HDAC2 (0.53) MASP2F2
SCHEMBL21707962 0.72 SLC6A3 (0.38) SLC6A2SCN9ASCN3ASCN5ASLC6A3
SCHEMBL5459217 0.72 GFER (0.38) SCN9ASCN3ASCN5ASLC6A3

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
US-5574055-A COGNITIVE AND NEURODEGENERATIVE DISORDERS HOFFMANN-LA ROCHE INC. (US) 1996-11-12 US disclosed