SCHEMBL6050677

SCHEMBL6050677

CC(C)(CCN)C(C)(C)CCN

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.38
LMNA P02545 1/20 0.30
ADRB3 P13945 1/20 0.30
FDPS P14324 1/20 0.30
PDE4D Q08499 1/20 0.30
PDE3A Q14432 1/20 0.30

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
SCHEMBL12707746 0.85 CYP2D6 (0.33) CYP2D6
SCHEMBL326026 0.82 CYP2D6 (0.32) CYP2D6
Bromide SCHEMBL22398204 0.79 CYP2D6 (0.30) CYP2D6
Ammonia Solution, Strong SCHEMBL16280583 0.79 CYP2D6 (0.30) CYP2D6
Bromide SCHEMBL29265109 0.79 CYP2D6 (0.30) CYP2D6
SCHEMBL15289694 0.79 CYP2D6 (0.30) CYP2D6
SCHEMBL23395809 0.77 NFKB1 (0.40) CYP2D6LMNAFDPSPDE3A
SCHEMBL11046183 0.77
Hydrochloric Acid SCHEMBL15269841 0.77
SCHEMBL4135812 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663922-A2 METHOD OF REMOVING HEXAFLUOROPROPYLENE DIMERS 3M Innovative Properties Company (US) 2006-06-07 EP claimed
WO-2004094025-A2 METHOD OF REMOVING HEXAFLUOROPROPYLENE DIMERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-11-04 WO claimed
US-6774270-B1 HEATING FLUID TO ISOMERIZE DIMERS TO THERMODYNAMIC ISOMER; CONTACTING WITH TERTIARY AMINE TO FORM ADDUCT; SEPARATION 3M INNOVATIVE PROPERTIES COMPANY 2004-08-10 US claimed