SCHEMBL5280309

SCHEMBL5280309

CCCCn1nnc(CC)c1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.40
GRM2 Q14416 1/20 0.36
TOP2A P11388 1/20 0.35
HCAR3 P49019 2/20 0.33
CNR1 P21554 4/20 0.33
CNR2 P34972 4/20 0.33
CYP2C19 P33261 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MPO P05164 1/20 0.30
HTT P42858 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
SCHEMBL5280427 0.93 SLC9A1 (0.43) SLC9A1HCAR3CNR1CNR2
SCHEMBL5275701 0.89 SLC9A1 (0.40) SLC9A1GRM2TOP2AHCAR3CNR1
SCHEMBL5279162 0.89 SLC9A1 (0.37) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5280447 0.88 SLC9A1 (0.39) SLC9A1GRM2TOP2AHCAR3CNR1
SCHEMBL5281135 0.86 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3CNR1
SCHEMBL5280861 0.84 SLC9A1 (0.39) SLC9A1GRM2TOP2AHCAR3CYP2C19
SCHEMBL5276325 0.84 SLC9A1 (0.39) SLC9A1GRM2TOP2AHCAR3CYP2C19
SCHEMBL5278656 0.83 SLC9A1 (0.36) SLC9A1GRM2TOP2AHCAR3CNR1
SCHEMBL5280385 0.83 SLC9A1 (0.43) SLC9A1HCAR3CNR1CNR2
SCHEMBL5279606 0.82 SLC9A1 (0.35) SLC9A1GRM2TOP2ACNR1CNR2

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