SCHEMBL5282477

SCHEMBL5282477

CCCCn1nnc(CC(C)C)c1Br

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.41
SLC9A1 P19634 4/20 0.38
TOP2A P11388 1/20 0.36
HCAR3 P49019 1/20 0.32

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
SCHEMBL5275113 0.94 SLC9A1 (0.41) GRM2SLC9A1TOP2AHCAR3
SCHEMBL5280117 0.90 GRM2 (0.38) GRM2SLC9A1TOP2A
SCHEMBL5273503 0.82 GRM2 (0.45) GRM2SLC9A1TOP2AHCAR3
SCHEMBL5273561 0.82 GRM2 (0.35) GRM2SLC9A1TOP2A
SCHEMBL5283153 0.81 SLC9A1 (0.39) GRM2SLC9A1TOP2AHCAR3
SCHEMBL5284360 0.81 SLC9A1 (0.39) GRM2SLC9A1TOP2AHCAR3
SCHEMBL5288212 0.81 SLC9A1 (0.39) GRM2SLC9A1TOP2AHCAR3
SCHEMBL5277061 0.81 GRM2 (0.47) GRM2SLC9A1TOP2AHCAR3
SCHEMBL5286989 0.81 GRM2 (0.47) GRM2SLC9A1TOP2AHCAR3
SCHEMBL5277296 0.80 SLC9A1 (0.41) GRM2SLC9A1TOP2AHCAR3

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