SCHEMBL19853742

SCHEMBL19853742

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

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.37

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
SCHEMBL3787441 0.82 CYP2D6 (0.33) CYP2D6
SCHEMBL5009792 0.80 MAPT (0.35) CYP2D6
SCHEMBL5668939 0.79 TSHR (0.32)
SCHEMBL3787341 0.78 DNM1 (0.32) CYP2D6
SCHEMBL5667895 0.78 CYP2D6 (0.32) CYP2D6
SCHEMBL3792047 0.76 DNM1 (0.39)
SCHEMBL3789192 0.75 CYP2D6 (0.37) CYP2D6
SCHEMBL3790945 0.75 DNM1 (0.42)
SCHEMBL22837292 0.74 CYP2C9 (0.31)
SCHEMBL21626540 0.74 CYP2C9 (0.42)

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-20180037804-A1 Anti-Agglomerants for the Prevention of Hydrates WEATHERFORD TECHNOLOGY HOLDINGS, LLC 2018-02-08 US disclosed