SCHEMBL5275477

SCHEMBL5275477

CCCCCCn1nnc(C(C)C)c1CC

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.43
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HCAR3 P49019 1/20 0.34
MAPT P10636 1/20 0.33
GRM2 Q14416 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
SMPD1 P17405 4/20 0.31
GRIA4 P48058 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
SCHEMBL5286825 0.93 SLC9A1 (0.40) SLC9A1ALDH1A1LMNAHCAR3GRM2
SCHEMBL5274246 0.89 SLC9A1 (0.42) SLC9A1ALDH1A1LMNAHCAR3MAPT
SCHEMBL5279224 0.89 SLC9A1 (0.42) SLC9A1ALDH1A1LMNAHCAR3MAPT
SCHEMBL5274544 0.87 SLC9A1 (0.41) SLC9A1ALDH1A1LMNAHCAR3MAPT
SCHEMBL5326407 0.86 GRIA4 (0.40) SLC9A1ALDH1A1HCAR3GRM2GRIA4
SCHEMBL5284880 0.84 SLC9A1 (0.39) SLC9A1ALDH1A1LMNAHCAR3MAPT
SCHEMBL5275491 0.81 SLC9A1 (0.44) SLC9A1ALDH1A1LMNAHCAR3MAPT
SCHEMBL5291026 0.81 SLC9A1 (0.39) SLC9A1ALDH1A1LMNAHCAR3GRM2
SCHEMBL5276153 0.81 SLC9A1 (0.44) SLC9A1ALDH1A1LMNAHCAR3MAPT
SCHEMBL5280270 0.81 SLC9A1 (0.39) SLC9A1ALDH1A1LMNAHCAR3GRM2

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