SCHEMBL5286316

SCHEMBL5286316

CCCCCCn1nnc(CC(C)(C)C)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.41
CNR1 P21554 3/20 0.34
CNR2 P34972 3/20 0.34
HCAR3 P49019 1/20 0.33
SMPD1 P17405 4/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 2/20 0.31
GAA P10253 1/20 0.31
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GRM2 Q14416 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
SCHEMBL5275521 0.94 SLC9A1 (0.38) SLC9A1CNR1CNR2HCAR3GRM2
SCHEMBL5282954 0.87 SLC9A1 (0.35) SLC9A1ALDH1A1GRM2
SCHEMBL5278202 0.83 SLC9A1 (0.45) SLC9A1HCAR3SMPD1MAPTLMNA
SCHEMBL5277074 0.83 SLC9A1 (0.42) SLC9A1CNR1CNR2HCAR3SMPD1
SCHEMBL5283533 0.83 SLC9A1 (0.42) SLC9A1CNR1CNR2HCAR3SMPD1
SCHEMBL5277913 0.83 SLC9A1 (0.42) SLC9A1CNR1CNR2HCAR3SMPD1
SCHEMBL5274913 0.82 SLC9A1 (0.44) SLC9A1HCAR3SMPD1MAPTLMNA
SCHEMBL5275557 0.82 SLC9A1 (0.44) SLC9A1HCAR3MAPTLMNAALDH1A1
SCHEMBL5275630 0.82 SLC9A1 (0.39) SLC9A1CNR1CNR2HCAR3SMPD1
SCHEMBL5273494 0.81 SLC9A1 (0.41) SLC9A1CNR1CNR2HCAR3SMPD1

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