SCHEMBL5281611

SCHEMBL5281611

CCCn1nnc(CC(C)(C)C)c1C(Cl)(Cl)Cl

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.33
ALDH1A1 P00352 2/20 0.30
GRM2 Q14416 1/20 0.30
CYP1A2 P05177 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
SCHEMBL5284110 0.90 SLC9A1 (0.36) SLC9A1GRM2
SCHEMBL5275630 0.88 SLC9A1 (0.39) SLC9A1
SCHEMBL5279616 0.87 SLC9A1 (0.32) SLC9A1
SCHEMBL5280458 0.86 MAOA (0.32) SLC9A1
SCHEMBL5282616 0.86 SLC9A1 (0.35) SLC9A1ALDH1A1GRM2
SCHEMBL5286419 0.84 SLC9A1 (0.36) SLC9A1ALDH1A1GRM2CYP1A2
SCHEMBL5276492 0.83 SLC9A1 (0.33) SLC9A1ALDH1A1GRM2
SCHEMBL5280406 0.83 SLC9A1 (0.35) SLC9A1ALDH1A1GRM2CYP1A2
SCHEMBL5274747 0.81 SLC9A1 (0.32) SLC9A1
SCHEMBL5278816 0.80 MAOB (0.38) SLC9A1ALDH1A1GRM2CYP1A2

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