SCHEMBL5282862

SCHEMBL5282862

CCCN1C=CN(C(C)C)C1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
OPRK1 P41145 1/20 0.34

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
SCHEMBL5297858 0.91 MMP1 (0.39) KCNH2
SCHEMBL5284985 0.90 KCNH2 (0.44) KCNH2
SCHEMBL5305303 0.89 KCNH2 (0.46) KCNH2
SCHEMBL5292826 0.89 KCNH2 (0.46) KCNH2
SCHEMBL5329561 0.89 KCNH2 (0.46) KCNH2
SCHEMBL5331126 0.89 KCNH2 (0.46) KCNH2
SCHEMBL5294521 0.89 KCNH2 (0.46) KCNH2
SCHEMBL5307886 0.89 KCNH2 (0.46) KCNH2
SCHEMBL5302552 0.89 KCNH2 (0.46) KCNH2
SCHEMBL5285709 0.89 KCNH2 (0.46) KCNH2

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
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed