SCHEMBL5286619

SCHEMBL5286619

CCCCCCn1nnc(CC)c1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.42
HCAR3 P49019 1/20 0.33
SMPD1 P17405 4/20 0.33
GABRB3 P28472 3/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
MAPT P10636 1/20 0.32
GABRA2 P47869 3/20 0.32
GABRB2 P47870 3/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 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
SCHEMBL5276325 0.93 SLC9A1 (0.39) SLC9A1HCAR3GABRB3GABRA2GABRB2
SCHEMBL5276138 0.89 SLC9A1 (0.41) SLC9A1HCAR3SMPD1GABRB3CNR1
SCHEMBL5276402 0.89 SLC9A1 (0.41) SLC9A1HCAR3SMPD1CNR1CNR2
SCHEMBL5277362 0.88 SLC9A1 (0.40) SLC9A1HCAR3SMPD1MAPTALDH1A1
SCHEMBL5285819 0.86 SLC9A1 (0.36) SLC9A1GABRB3GABRA2GABRB2ALDH1A1
SCHEMBL5281307 0.86 SLC9A1 (0.39) SLC9A1HCAR3SMPD1CNR1CNR2
SCHEMBL5280427 0.85 SLC9A1 (0.43) SLC9A1HCAR3SMPD1CNR1CNR2
SCHEMBL5274132 0.85 SLC9A1 (0.38) SLC9A1HCAR3SMPD1CNR1CNR2
SCHEMBL5273326 0.84 SLC9A1 (0.42) SLC9A1HCAR3SMPD1CNR1CNR2
SCHEMBL5280231 0.82 SLC9A1 (0.38) SLC9A1HCAR3GABRB3GABRA2GABRB2

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