SCHEMBL11337447

SCHEMBL11337447

CC(N)CC(C)(C)CC(C)CN

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
FDPS P14324 1/20 0.33
CYP2D6 P10635 1/20 0.32
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 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
SCHEMBL21482326 0.84 FDPS (0.33) ALDH1A1FDPS
SCHEMBL9947297 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4167824 0.78 CYP2D6 (0.50) ALDH1A1CYP2D6GABBR2GABBR1
SCHEMBL20149124 0.78 ALDH1A1 (0.38) ALDH1A1FDPS
SCHEMBL10060803 0.78
SCHEMBL18637998 0.77
SCHEMBL21472090 0.76 ALDH1A1 (0.33) ALDH1A1CYP2D6GABBR2GABBR1
SCHEMBL4464863 0.76 ALDH1A1 (0.33) ALDH1A1CYP2D6GABBR2GABBR1
SCHEMBL23228848 0.74 CYP2D6 (0.45) ALDH1A1FDPSCYP2D6
SCHEMBL23439968 0.74 ALDH1A1 (0.32) ALDH1A1CYP2D6GABBR2GABBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4293474-A Polyurethane ionomer dispersions containing electrolytes BAYER AKTIENGESELLSCHAFT (DE) 1981-10-06 US disclosed
US-3935146-A Polyurethaneamides dispersible in water and dispersions containing them BAYER AKTIENGESELLSCHAFT (DT) 1976-01-27 US disclosed