SCHEMBL5273628

SCHEMBL5273628

CCCCCCn1nnc(CC(C)C)c1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.41
HCAR3 P49019 2/20 0.35
MAPT P10636 1/20 0.34
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GRM2 Q14416 1/20 0.31
SMPD1 P17405 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
SCHEMBL5288686 0.94 SLC9A1 (0.38) SLC9A1HCAR3GRM2
SCHEMBL5279562 0.87 SLC9A1 (0.43) SLC9A1HCAR3MAPTCNR1CNR2
SCHEMBL5278372 0.87 GRIA4 (0.38) SLC9A1HCAR3ALDH1A1GRM2
SCHEMBL5280756 0.86 SLC9A1 (0.42) SLC9A1HCAR3MAPTCNR1CNR2
SCHEMBL5273929 0.86 SLC9A1 (0.42) SLC9A1HCAR3MAPTCNR1CNR2
SCHEMBL5288514 0.83 SLC9A1 (0.42) SLC9A1HCAR3MAPTALDH1A1LMNA
SCHEMBL5275672 0.83 SLC9A1 (0.42) SLC9A1HCAR3MAPTALDH1A1LMNA
SCHEMBL5283888 0.83 SLC9A1 (0.42) SLC9A1HCAR3MAPTALDH1A1LMNA
SCHEMBL5282623 0.82 SLC9A1 (0.39) SLC9A1HCAR3MAPTCNR1CNR2
SCHEMBL5275113 0.81 SLC9A1 (0.41) SLC9A1HCAR3MAPTALDH1A1LMNA

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