SCHEMBL5287644

SCHEMBL5287644

CCCCCCn1nnc(Br)c1CCC

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.44
GRM2 Q14416 1/20 0.39
HCAR3 P49019 1/20 0.35
MAPT P10636 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
SMPD1 P17405 4/20 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
SCHEMBL5282518 0.93 SLC9A1 (0.44) SLC9A1GRM2HCAR3MAPTALDH1A1
SCHEMBL5278986 0.93 GRM2 (0.44) SLC9A1GRM2HCAR3
SCHEMBL5283124 0.88 SLC9A1 (0.45) SLC9A1GRM2HCAR3MAPTALDH1A1
SCHEMBL5282462 0.86 GRM2 (0.44) SLC9A1GRM2HCAR3
SCHEMBL5281430 0.85 GRM2 (0.41) SLC9A1GRM2HCAR3ALDH1A1
SCHEMBL5283666 0.82 GRM2 (0.39) SLC9A1GRM2ALDH1A1
SCHEMBL5278575 0.82 SLC9A1 (0.44) SLC9A1GRM2HCAR3MAPTALDH1A1
SCHEMBL5279525 0.82 SLC9A1 (0.41) SLC9A1GRM2HCAR3MAPTALDH1A1
SCHEMBL5279279 0.81 SLC9A1 (0.45) SLC9A1GRM2HCAR3MAPTALDH1A1
SCHEMBL5282492 0.81 SLC9A1 (0.45) SLC9A1GRM2HCAR3MAPTALDH1A1

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