SCHEMBL5286975

SCHEMBL5286975

CCCCCCn1nnc(C(Cl)(Cl)Cl)c1CC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.39
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
HCAR3 P49019 1/20 0.32
SMPD1 P17405 4/20 0.31
MAPT P10636 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
SCHEMBL5279899 0.94 SLC9A1 (0.36) SLC9A1HCAR3
SCHEMBL5277451 0.89 SLC9A1 (0.42) SLC9A1HCAR3SMPD1MAPT
SCHEMBL5279965 0.89 SLC9A1 (0.38) SLC9A1CNR1CNR2HCAR3
SCHEMBL5284736 0.88 SLC9A1 (0.41) SLC9A1CNR1CNR2HCAR3SMPD1
SCHEMBL5279844 0.88 SLC9A1 (0.33) SLC9A1
SCHEMBL5276795 0.85 SLC9A1 (0.39) SLC9A1CNR1CNR2HCAR3SMPD1
SCHEMBL5279677 0.85 SLC9A1 (0.41) SLC9A1HCAR3SMPD1MAPT
SCHEMBL5279766 0.85 SLC9A1 (0.41) SLC9A1HCAR3SMPD1MAPT
SCHEMBL5282128 0.83 SLC9A1 (0.38) SLC9A1CNR1CNR2HCAR3
SCHEMBL5282856 0.83 SLC9A1 (0.39) 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