SCHEMBL5282128

SCHEMBL5282128

CCCCCCn1nnc(C(F)(F)C(F)(F)F)c1CC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.38
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
HCAR3 P49019 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
SCHEMBL5277440 0.94 SLC9A1 (0.35) SLC9A1
SCHEMBL5278204 0.90 SLC9A1 (0.40) SLC9A1HCAR3
SCHEMBL5276795 0.89 SLC9A1 (0.39) SLC9A1CNR1CNR2HCAR3
SCHEMBL5283747 0.88 GRIA4 (0.32) SLC9A1
SCHEMBL5278108 0.86 SLC9A1 (0.39) SLC9A1HCAR3
SCHEMBL5277160 0.86 SLC9A1 (0.39) SLC9A1HCAR3
SCHEMBL5284736 0.85 SLC9A1 (0.41) SLC9A1CNR1CNR2HCAR3
SCHEMBL5279353 0.84 SLC9A1 (0.37) SLC9A1HCAR3
SCHEMBL5286975 0.83 SLC9A1 (0.39) SLC9A1CNR1CNR2HCAR3
SCHEMBL5280110 0.82 SLC9A1 (0.36) SLC9A1HCAR3

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
EP-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed