SCHEMBL5282623

SCHEMBL5282623

CCCCCCn1nnc(CC(C)(C)C)c1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.39
CNR1 P21554 6/20 0.36
CNR2 P34972 6/20 0.36
HCAR3 P49019 1/20 0.34
MAPT P10636 1/20 0.33
SMPD1 P17405 4/20 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
SCHEMBL5279139 0.94 SLC9A1 (0.36) SLC9A1CNR1CNR2HCAR3
SCHEMBL5282635 0.88 SLC9A1 (0.33) SLC9A1HCAR3
SCHEMBL5279562 0.84 SLC9A1 (0.43) SLC9A1CNR1CNR2HCAR3MAPT
SCHEMBL5273929 0.83 SLC9A1 (0.42) SLC9A1CNR1CNR2HCAR3MAPT
SCHEMBL5280756 0.83 SLC9A1 (0.42) SLC9A1CNR1CNR2HCAR3MAPT
SCHEMBL5273628 0.82 SLC9A1 (0.41) SLC9A1CNR1CNR2HCAR3MAPT
SCHEMBL5285507 0.81 NPC1 (0.33) SLC9A1
SCHEMBL5277913 0.80 SLC9A1 (0.42) SLC9A1CNR1CNR2HCAR3MAPT
SCHEMBL5277074 0.80 SLC9A1 (0.42) SLC9A1CNR1CNR2HCAR3MAPT
SCHEMBL5283533 0.80 SLC9A1 (0.42) SLC9A1CNR1CNR2HCAR3MAPT

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