SCHEMBL5284880

SCHEMBL5284880

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

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.39
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HCAR3 P49019 1/20 0.32
SMPD1 P17405 4/20 0.31
MAPT P10636 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
SCHEMBL5275722 0.94 SLC9A1 (0.36) SLC9A1HCAR3
SCHEMBL5280087 0.88 GRIA4 (0.36) SLC9A1ALDH1A1
SCHEMBL5275477 0.84 SLC9A1 (0.43) SLC9A1CNR1CNR2ALDH1A1LMNA
SCHEMBL5274246 0.83 SLC9A1 (0.42) SLC9A1CNR1CNR2ALDH1A1LMNA
SCHEMBL5279224 0.83 SLC9A1 (0.42) SLC9A1CNR1CNR2ALDH1A1LMNA
SCHEMBL5274544 0.82 SLC9A1 (0.41) SLC9A1ALDH1A1LMNAHCAR3MAPT
SCHEMBL5273639 0.81 GRIA1 (0.33) SLC9A1
SCHEMBL5283533 0.80 SLC9A1 (0.42) SLC9A1CNR1CNR2ALDH1A1LMNA
SCHEMBL5274313 0.80 SLC9A1 (0.42) SLC9A1CNR1CNR2ALDH1A1LMNA
SCHEMBL5276174 0.80 SLC9A1 (0.38) SLC9A1CNR1CNR2HCAR3

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