SCHEMBL5278656

SCHEMBL5278656

CCCCn1nnc(CC(C)C)c1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.36
GRM2 Q14416 1/20 0.33
TOP2A P11388 1/20 0.32
HCAR3 P49019 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL5279932 0.94 SLC9A1 (0.39) SLC9A1HCAR3CNR1CNR2
SCHEMBL5277381 0.90 SLC9A1 (0.33) SLC9A1GRM2
SCHEMBL5284580 0.86 SLC9A1 (0.36) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5284372 0.86 SLC9A1 (0.36) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5284926 0.84 SLC9A1 (0.34) SLC9A1GRM2TOP2A
SCHEMBL5279089 0.84 SLC9A1 (0.34) SLC9A1GRM2TOP2A
SCHEMBL5285643 0.83 GRIA1 (0.30) SLC9A1
SCHEMBL5275701 0.83 SLC9A1 (0.40) SLC9A1GRM2TOP2AHCAR3CNR1
SCHEMBL5280309 0.83 SLC9A1 (0.40) SLC9A1GRM2TOP2AHCAR3CNR1
SCHEMBL5280447 0.82 SLC9A1 (0.39) 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