SCHEMBL5283121

SCHEMBL5283121

CCCCCCn1nnc(Br)c1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.42
GRM2 Q14416 1/20 0.37
HCAR3 P49019 1/20 0.33
SMPD1 P17405 4/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
MAPT P10636 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TLR8 Q9NR97 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
SCHEMBL5276065 0.93 GRM2 (0.42) SLC9A1GRM2HCAR3
SCHEMBL5277677 0.88 SLC9A1 (0.40) SLC9A1GRM2HCAR3SMPD1CNR1
SCHEMBL5282607 0.86 GRM2 (0.39) SLC9A1GRM2ALDH1A1
SCHEMBL5276361 0.85 SLC9A1 (0.43) SLC9A1GRM2HCAR3SMPD1CNR1
SCHEMBL5277072 0.84 SLC9A1 (0.42) SLC9A1GRM2HCAR3SMPD1CNR1
SCHEMBL5280030 0.82 SLC9A1 (0.43) SLC9A1GRM2HCAR3SMPD1CNR1
SCHEMBL5274658 0.82 SLC9A1 (0.43) SLC9A1GRM2HCAR3SMPD1CNR1
SCHEMBL5274274 0.82 SLC9A1 (0.43) SLC9A1GRM2HCAR3SMPD1CNR1
SCHEMBL5276368 0.81 SLC9A1 (0.40) SLC9A1GRM2HCAR3SMPD1CNR1
SCHEMBL5275038 0.81 GRM2 (0.40) SLC9A1GRM2HCAR3

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