SCHEMBL5282185

SCHEMBL5282185

CCCCn1nnc(Br)c1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.43
SLC9A1 P19634 4/20 0.40
CNR1 P21554 4/20 0.37
CNR2 P34972 4/20 0.37
TOP2A P11388 1/20 0.35
HCAR3 P49019 2/20 0.33
CYP2C19 P33261 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CSNK2A2 P19784 2/20 0.30
CSNK2B P67870 2/20 0.30
CSNK2A1 P68400 2/20 0.30
CSNK2A3 Q8NEV1 2/20 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
SCHEMBL5276361 0.93 SLC9A1 (0.43) GRM2SLC9A1CNR1CNR2HCAR3
SCHEMBL5276813 0.89 GRM2 (0.40) GRM2SLC9A1CNR1CNR2TOP2A
SCHEMBL5280327 0.84 GRM2 (0.42) GRM2SLC9A1TOP2AHCAR3CYP2C19
SCHEMBL5276065 0.84 GRM2 (0.42) GRM2SLC9A1TOP2AHCAR3CYP2C19
SCHEMBL5278011 0.81 GRM2 (0.40) GRM2SLC9A1TOP2AHCAR3CSNK2A2
SCHEMBL5275038 0.81 GRM2 (0.40) GRM2SLC9A1TOP2AHCAR3MEN1
SCHEMBL5276307 0.81 GRM2 (0.37) GRM2SLC9A1
SCHEMBL5278592 0.80 SLC9A1 (0.41) GRM2SLC9A1CNR1CNR2TOP2A
SCHEMBL5274077 0.80 SLC9A1 (0.41) GRM2SLC9A1CNR1CNR2TOP2A
SCHEMBL5280309 0.79 SLC9A1 (0.40) GRM2SLC9A1CNR1CNR2TOP2A

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