SCHEMBL5288686

SCHEMBL5288686

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

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.38
GRM2 Q14416 1/20 0.35
HCAR3 P49019 2/20 0.35
TOP2A P11388 1/20 0.33
HTT P42858 1/20 0.31
GRIA4 P48058 1/20 0.31
CYP2C19 P33261 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
SCHEMBL5273628 0.94 SLC9A1 (0.41) SLC9A1GRM2HCAR3
SCHEMBL5278372 0.90 GRIA4 (0.38) SLC9A1GRM2HCAR3TOP2AGRIA4
SCHEMBL5278024 0.86 SLC9A1 (0.40) SLC9A1GRM2HCAR3TOP2AHTT
SCHEMBL5277134 0.85 SLC9A1 (0.39) SLC9A1GRM2HCAR3TOP2AHTT
SCHEMBL5282585 0.85 SLC9A1 (0.39) SLC9A1GRM2HCAR3TOP2AHTT
SCHEMBL5273610 0.82 GRIA1 (0.35) SLC9A1GRIA4
SCHEMBL5283153 0.81 SLC9A1 (0.39) SLC9A1GRM2HCAR3TOP2AGRIA4
SCHEMBL5284360 0.81 SLC9A1 (0.39) SLC9A1GRM2HCAR3TOP2AHTT
SCHEMBL5288212 0.81 SLC9A1 (0.39) SLC9A1GRM2HCAR3TOP2A
SCHEMBL5279139 0.81 SLC9A1 (0.36) SLC9A1GRM2HCAR3TOP2AHTT

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