SCHEMBL5286143

SCHEMBL5286143

CCCCn1nnc(C(C)(C)C)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.40
GRM2 Q14416 1/20 0.36
TOP2A P11388 1/20 0.35
HCAR3 P49019 2/20 0.33
CNR1 P21554 4/20 0.33
CNR2 P34972 4/20 0.33
NR1H3 Q13133 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 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
SCHEMBL5273269 0.93 SLC9A1 (0.43) SLC9A1HCAR3CNR1CNR2
SCHEMBL5276736 0.89 SLC9A1 (0.37) SLC9A1GRM2TOP2AHCAR3MEN1
SCHEMBL5280127 0.87 SLC9A1 (0.41) SLC9A1GRM2TOP2AHCAR3NR1H3
SCHEMBL5278355 0.83 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5280894 0.83 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3MEN1
SCHEMBL5277637 0.81 SLC9A1 (0.33) SLC9A1GRM2
SCHEMBL5278300 0.81 SLC9A1 (0.44) SLC9A1GRM2TOP2AHCAR3CNR1
SCHEMBL5278016 0.80 SLC9A1 (0.41) SLC9A1GRM2TOP2AHCAR3CNR1
SCHEMBL5278592 0.80 SLC9A1 (0.41) SLC9A1GRM2TOP2AHCAR3CNR1
SCHEMBL5284640 0.79 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3CNR1

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