SCHEMBL5282773

SCHEMBL5282773

CCCCn1nnc(C(Cl)(Cl)Cl)c1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.38
GRM2 Q14416 1/20 0.35
CNR1 P21554 3/20 0.34
CNR2 P34972 3/20 0.34
TOP2A P11388 1/20 0.33
HCAR3 P49019 1/20 0.32
CYP2C19 P33261 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
SCHEMBL5273180 0.94 SLC9A1 (0.41) SLC9A1CNR1CNR2HCAR3
SCHEMBL5277720 0.90 SLC9A1 (0.35) SLC9A1GRM2TOP2A
SCHEMBL5279834 0.90 SLC9A1 (0.40) SLC9A1GRM2TOP2AHCAR3CYP2C19
SCHEMBL5278592 0.88 SLC9A1 (0.41) SLC9A1GRM2CNR1CNR2TOP2A
SCHEMBL5285328 0.87 SLC9A1 (0.36) SLC9A1GRM2CNR1CNR2TOP2A
SCHEMBL5284640 0.87 SLC9A1 (0.38) SLC9A1GRM2CNR1CNR2TOP2A
SCHEMBL5285646 0.85 SLC9A1 (0.37) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5282109 0.85 SLC9A1 (0.37) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5277320 0.83 SLC9A1 (0.38) SLC9A1GRM2CNR1CNR2TOP2A
SCHEMBL5280258 0.83 SLC9A1 (0.43) SLC9A1GRM2CNR1CNR2TOP2A

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