SCHEMBL5283533

SCHEMBL5283533

CCCCCCn1nnc(CC(C)(C)C)c1CC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.42
CNR1 P21554 4/20 0.34
CNR2 P34972 4/20 0.34
HCAR3 P49019 1/20 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
GRM2 Q14416 1/20 0.31
TOP2A P11388 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
SCHEMBL5275676 0.93 SLC9A1 (0.39) SLC9A1CNR1CNR2HCAR3GRM2
SCHEMBL5273494 0.92 SLC9A1 (0.41) SLC9A1CNR1CNR2HCAR3SMPD1
SCHEMBL5279564 0.92 SLC9A1 (0.41) SLC9A1CNR1CNR2HCAR3SMPD1
SCHEMBL5277213 0.91 SLC9A1 (0.40) SLC9A1CNR1CNR2HCAR3SMPD1
SCHEMBL5276419 0.91 SLC9A1 (0.40) SLC9A1CNR1CNR2HCAR3SMPD1
SCHEMBL5274055 0.91 SLC9A1 (0.40) SLC9A1CNR1CNR2HCAR3SMPD1
SCHEMBL5276899 0.91 SLC9A1 (0.40) SLC9A1CNR1CNR2HCAR3SMPD1
SCHEMBL5276174 0.87 SLC9A1 (0.38) SLC9A1CNR1CNR2HCAR3
SCHEMBL5282365 0.87 SLC9A1 (0.38) SLC9A1CNR1CNR2HCAR3
SCHEMBL5276074 0.86 SLC9A1 (0.36) SLC9A1ALDH1A1GRM2TOP2A

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