SCHEMBL5281734

SCHEMBL5281734

CCCCn1nnc(C(C)(C)C)c1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.38
GRM2 Q14416 1/20 0.35
TOP2A P11388 1/20 0.33
HCAR3 P49019 1/20 0.32
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
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
SCHEMBL5279485 0.94 SLC9A1 (0.41) SLC9A1HCAR3CNR1CNR2
SCHEMBL5273577 0.90 SLC9A1 (0.40) SLC9A1GRM2TOP2AHCAR3LMNA
SCHEMBL5277377 0.90 SLC9A1 (0.35) SLC9A1GRM2TOP2A
SCHEMBL5278592 0.88 SLC9A1 (0.41) SLC9A1GRM2TOP2AHCAR3CNR1
SCHEMBL5280305 0.87 SLC9A1 (0.36) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5277320 0.87 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3CNR1
SCHEMBL5282109 0.85 SLC9A1 (0.37) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5286360 0.85 SLC9A1 (0.37) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5274658 0.83 SLC9A1 (0.43) SLC9A1GRM2HCAR3CNR1CNR2
SCHEMBL5284640 0.83 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3CNR1

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