SCHEMBL5280843

SCHEMBL5280843

CCCn1nnc(CC(C)C)c1C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.36
GRIA4 P48058 1/20 0.36
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAOA P21397 1/20 0.33
GRM2 Q14416 1/20 0.33
CYP1A2 P05177 1/20 0.33
CACNA2D1 P54289 1/20 0.31
TOP2A P11388 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
HPGD P15428 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
SCHEMBL5284360 0.89 SLC9A1 (0.39) SLC9A1ALDH1A1MAOAGRM2CACNA2D1
SCHEMBL5275672 0.86 SLC9A1 (0.42) SLC9A1ALDH1A1MAOAGRM2TOP2A
SCHEMBL5278639 0.85 MAOA (0.44) SLC9A1GRIA4HSD17B10MAOACYP1A2
SCHEMBL5283272 0.81 GRIA4 (0.42) SLC9A1GRIA4HSD17B10ALDH1A1GRM2
SCHEMBL5274139 0.81 SLC9A1 (0.36) SLC9A1GRIA4HSD17B10ALDH1A1GRM2
SCHEMBL5284393 0.80 SLC9A1 (0.40) SLC9A1GRIA4HSD17B10ALDH1A1MAOA
SCHEMBL5279519 0.80 SLC9A1 (0.39) SLC9A1GRIA4HSD17B10ALDH1A1GRM2
SCHEMBL5278254 0.80 GRIA4 (0.41) SLC9A1GRIA4HSD17B10ALDH1A1GRM2
SCHEMBL5278372 0.80 GRIA4 (0.38) SLC9A1GRIA4HSD17B10ALDH1A1GRM2
SCHEMBL5280117 0.80 GRM2 (0.38) SLC9A1GRIA4HSD17B10ALDH1A1GRM2

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