SCHEMBL5281949

SCHEMBL5281949

CCCCCCn1nnc(CCCC)c1C(Cl)(Cl)Cl

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.41
MAOB P27338 1/20 0.36
HCAR3 P49019 1/20 0.33
SMPD1 P17405 4/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GRM2 Q14416 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
TBXAS1 P24557 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
SCHEMBL5283105 0.94 SLC9A1 (0.41) SLC9A1MAOBHCAR3SMPD1MAPT
SCHEMBL5277816 0.94 SLC9A1 (0.38) SLC9A1MAOBHCAR3GRM2
SCHEMBL5278816 0.90 MAOB (0.38) SLC9A1MAOBALDH1A1GRM2
SCHEMBL5273326 0.89 SLC9A1 (0.42) SLC9A1MAOBHCAR3SMPD1MAPT
SCHEMBL5274197 0.88 SLC9A1 (0.39) SLC9A1HCAR3SMPD1MAPT
SCHEMBL5275006 0.87 SLC9A1 (0.38) SLC9A1MAOBHCAR3GRM2
SCHEMBL5280385 0.87 SLC9A1 (0.43) SLC9A1HCAR3SMPD1MAPTALDH1A1
SCHEMBL5276339 0.85 MAOB (0.35) MAOB
SCHEMBL5275630 0.85 SLC9A1 (0.39) SLC9A1HCAR3SMPD1MAPTCNR1
SCHEMBL5276402 0.84 SLC9A1 (0.41) SLC9A1MAOBHCAR3SMPD1MAPT

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