SCHEMBL5280453

SCHEMBL5280453

CCCCCCn1nnc(C(C)(C)C)c1CCCC

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.42
HCAR3 P49019 1/20 0.33
CNR1 P21554 5/20 0.33
CNR2 P34972 5/20 0.33
SMPD1 P17405 4/20 0.33
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAOB P27338 1/20 0.31
GRM2 Q14416 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
SCHEMBL5276276 0.94 SLC9A1 (0.42) SLC9A1HCAR3CNR1CNR2SMPD1
SCHEMBL5278440 0.93 SLC9A1 (0.39) SLC9A1HCAR3CNR1CNR2MAOB
SCHEMBL5283534 0.90 SLC9A1 (0.34) SLC9A1ALDH1A1MAOBGRM2
SCHEMBL5275329 0.89 SLC9A1 (0.43) SLC9A1HCAR3CNR1CNR2SMPD1
SCHEMBL5280695 0.87 SLC9A1 (0.42) SLC9A1HCAR3CNR1CNR2SMPD1
SCHEMBL5283265 0.87 SLC9A1 (0.39) SLC9A1HCAR3CNR1CNR2GRM2
SCHEMBL5279677 0.86 SLC9A1 (0.41) SLC9A1HCAR3SMPD1MAPTALDH1A1
SCHEMBL5284736 0.86 SLC9A1 (0.41) SLC9A1HCAR3CNR1CNR2SMPD1
SCHEMBL5281290 0.85 MAOB (0.31) SLC9A1MAOB
SCHEMBL5321095 0.83 SLC9A1 (0.39) SLC9A1HCAR3CNR1CNR2SMPD1

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