SCHEMBL5276402

SCHEMBL5276402

CCCCCCn1nnc(CCCC)c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.41
GABRA2 P47869 3/20 0.33
GABRB2 P47870 3/20 0.33
HCAR3 P49019 1/20 0.33
SMPD1 P17405 4/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAOB P27338 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
SCHEMBL5276138 0.94 SLC9A1 (0.41) SLC9A1GABRA2GABRB2HCAR3SMPD1
SCHEMBL5284605 0.94 SLC9A1 (0.38) SLC9A1GABRA2GABRB2HCAR3MAOB
SCHEMBL5276143 0.90 SLC9A1 (0.33) SLC9A1GABRA2GABRB2ALDH1A1MAOB
SCHEMBL5286619 0.89 SLC9A1 (0.42) SLC9A1GABRA2GABRB2HCAR3SMPD1
SCHEMBL5282528 0.88 SLC9A1 (0.39) SLC9A1HCAR3SMPD1MAPT
SCHEMBL5280231 0.87 SLC9A1 (0.38) SLC9A1GABRA2GABRB2HCAR3
SCHEMBL5280385 0.87 SLC9A1 (0.43) SLC9A1HCAR3SMPD1CNR1CNR2
SCHEMBL5274651 0.85 GABRA2 (0.34) GABRA2GABRB2MAOB
SCHEMBL5281307 0.85 SLC9A1 (0.39) SLC9A1HCAR3SMPD1CNR1CNR2
SCHEMBL5281949 0.84 SLC9A1 (0.41) SLC9A1HCAR3SMPD1CNR1CNR2

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