SCHEMBL5281116

SCHEMBL5281116

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.39
GRM2 Q14416 1/20 0.36
GABRB3 P28472 7/20 0.35
TOP2A P11388 1/20 0.34
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
HCAR3 P49019 1/20 0.33
GABRA2 P47869 4/20 0.31
GABRB2 P47870 4/20 0.31
NR1H3 Q13133 2/20 0.31
NR1H2 P55055 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 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
SCHEMBL5276375 0.93 SLC9A1 (0.42) SLC9A1GABRB3LMNAHTTHCAR3
SCHEMBL5284621 0.93 SLC9A1 (0.39) SLC9A1GRM2TOP2ALMNATSHR
SCHEMBL5278901 0.90 SLC9A1 (0.39) SLC9A1GRM2GABRB3TOP2ALMNA
SCHEMBL5278761 0.89 GABRB3 (0.36) SLC9A1GRM2GABRB3TOP2AGABRA2
SCHEMBL5273813 0.89 SLC9A1 (0.36) SLC9A1GRM2GABRB3TOP2AHCAR3
SCHEMBL5280695 0.87 SLC9A1 (0.42) SLC9A1LMNAHTTHCAR3GABRA2
SCHEMBL5283265 0.86 SLC9A1 (0.39) SLC9A1GRM2TOP2AHCAR3NR1H3
SCHEMBL5275318 0.86 SLC9A1 (0.34) SLC9A1GRM2LMNATSHRHTT
SCHEMBL5280110 0.85 SLC9A1 (0.36) SLC9A1GRM2TOP2ALMNATSHR
SCHEMBL5284846 0.85 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3

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