SCHEMBL5283265

SCHEMBL5283265

CCCCn1nnc(C(C)(C)C)c1CCC

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.39
GRM2 Q14416 1/20 0.36
TOP2A P11388 1/20 0.34
HCAR3 P49019 1/20 0.33
NR1H3 Q13133 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL5276276 0.93 SLC9A1 (0.42) SLC9A1GRM2HCAR3CNR1CNR2
SCHEMBL5278440 0.93 SLC9A1 (0.39) SLC9A1GRM2TOP2AHCAR3NR1H3
SCHEMBL5278494 0.89 SLC9A1 (0.36) SLC9A1GRM2TOP2A
SCHEMBL5277045 0.88 SLC9A1 (0.40) SLC9A1GRM2TOP2AHCAR3NR1H3
SCHEMBL5280453 0.87 SLC9A1 (0.42) SLC9A1GRM2HCAR3CNR1CNR2
SCHEMBL5283534 0.86 SLC9A1 (0.34) SLC9A1GRM2
SCHEMBL5281116 0.86 SLC9A1 (0.39) SLC9A1GRM2TOP2AHCAR3NR1H3
SCHEMBL5273625 0.85 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3CNR1
SCHEMBL5284846 0.85 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5280937 0.84 GRIA1 (0.32) SLC9A1

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