SCHEMBL5277983

SCHEMBL5277983

CCCCn1nnc(CCC)c1C(F)(F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.36
GRM2 Q14416 1/20 0.33
GABRB3 P28472 6/20 0.33
GABRA2 P47869 3/20 0.33
GABRB2 P47870 3/20 0.33
TOP2A P11388 1/20 0.32
HCAR3 P49019 1/20 0.31

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
SCHEMBL5276117 0.94 SLC9A1 (0.39) SLC9A1GABRB3GABRA2GABRB2HCAR3
SCHEMBL5276951 0.94 SLC9A1 (0.36) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5279271 0.90 GABRB3 (0.34) SLC9A1GRM2GABRB3GABRA2GABRB2
SCHEMBL5287387 0.89 SLC9A1 (0.37) SLC9A1GRM2GABRB3TOP2AHCAR3
SCHEMBL5282528 0.88 SLC9A1 (0.39) SLC9A1HCAR3
SCHEMBL5276833 0.88 SLC9A1 (0.32) SLC9A1
SCHEMBL5280231 0.87 SLC9A1 (0.38) SLC9A1GRM2GABRB3GABRA2GABRB2
SCHEMBL5282299 0.85 GABRB3 (0.35) GABRB3GABRA2GABRB2
SCHEMBL5279501 0.85 SLC9A1 (0.35) SLC9A1GRM2TOP2A
SCHEMBL5279089 0.84 SLC9A1 (0.34) SLC9A1GRM2TOP2A

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