SCHEMBL5281094

SCHEMBL5281094

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.44
HCAR3 P49019 1/20 0.35
CNR1 P21554 6/20 0.34
CNR2 P34972 6/20 0.34
SMPD1 P17405 4/20 0.34
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GRM2 Q14416 1/20 0.33

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
SCHEMBL5278016 0.93 SLC9A1 (0.41) SLC9A1HCAR3CNR1CNR2ALDH1A1
SCHEMBL5282960 0.85 SLC9A1 (0.38) SLC9A1HCAR3ALDH1A1GRM2
SCHEMBL5275125 0.85 SLC9A1 (0.43) SLC9A1HCAR3CNR1CNR2SMPD1
SCHEMBL5280311 0.85 SLC9A1 (0.43) SLC9A1HCAR3SMPD1MAPTALDH1A1
SCHEMBL5283641 0.83 SLC9A1 (0.44) SLC9A1HCAR3CNR1CNR2SMPD1
SCHEMBL5279836 0.82 SLC9A1 (0.41) SLC9A1HCAR3SMPD1MAPTALDH1A1
SCHEMBL5274791 0.82 SLC9A1 (0.41) SLC9A1HCAR3SMPD1MAPTALDH1A1
SCHEMBL5280710 0.81 SLC9A1 (0.43) SLC9A1HCAR3CNR1CNR2SMPD1
SCHEMBL5275329 0.81 SLC9A1 (0.43) SLC9A1HCAR3CNR1CNR2SMPD1
SCHEMBL5277103 0.81 SLC9A1 (0.43) SLC9A1HCAR3CNR1CNR2SMPD1

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