SCHEMBL5280654

SCHEMBL5280654

CCCn1nnc(F)c1CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 1/20 0.41
SLC9A1 P19634 1/20 0.35
TOP2A P11388 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GRM2 Q14416 1/20 0.32
POLB P06746 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL5275660 0.90 SLC9A1 (0.38) GRIA4SLC9A1TOP2AGRM2
SCHEMBL5275351 0.87 SLC9A1 (0.41) GRIA4SLC9A1TOP2AALDH1A1GRM2
SCHEMBL5273297 0.85 GRIA1 (0.38) GRIA4SLC9A1TOP2A
SCHEMBL5277426 0.81 SLC9A1 (0.39) GRIA4SLC9A1TOP2AALDH1A1GRM2
SCHEMBL5283272 0.80 GRIA4 (0.42) GRIA4SLC9A1TOP2AALDH1A1GRM2
SCHEMBL5283283 0.80 GRIA4 (0.42) GRIA4SLC9A1TOP2AALDH1A1GRM2
SCHEMBL5280812 0.79 SLC9A1 (0.38) GRIA4SLC9A1TOP2AALDH1A1GRM2
SCHEMBL5282901 0.79 GRM2 (0.41) GRIA4SLC9A1TOP2AALDH1A1GRM2
SCHEMBL5276996 0.79 GRIA4 (0.41) GRIA4SLC9A1TOP2AALDH1A1GRM2
SCHEMBL5277274 0.79 GRIA4 (0.41) GRIA4SLC9A1TOP2AALDH1A1GRM2

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