SCHEMBL5277299

SCHEMBL5277299

CCCCCCn1nnc(F)c1CC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.41
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
HCAR3 P49019 1/20 0.33
SMPD1 P17405 4/20 0.32
TOP2A P11388 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 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
SCHEMBL5284211 0.94 SLC9A1 (0.38) SLC9A1CNR1CNR2HCAR3TOP2A
SCHEMBL5279099 0.87 SLC9A1 (0.35) SLC9A1TOP2AALDH1A1GRM2
SCHEMBL5278987 0.83 SLC9A1 (0.45) SLC9A1HCAR3SMPD1TOP2AMAPT
SCHEMBL5283533 0.83 SLC9A1 (0.42) SLC9A1CNR1CNR2HCAR3SMPD1
SCHEMBL5274313 0.83 SLC9A1 (0.42) SLC9A1CNR1CNR2HCAR3SMPD1
SCHEMBL5288208 0.82 SLC9A1 (0.44) SLC9A1HCAR3SMPD1TOP2AMAPT
SCHEMBL5283211 0.82 SLC9A1 (0.44) SLC9A1HCAR3SMPD1TOP2AMAPT
SCHEMBL5276795 0.82 SLC9A1 (0.39) SLC9A1CNR1CNR2HCAR3SMPD1
SCHEMBL5279525 0.81 SLC9A1 (0.41) SLC9A1CNR1CNR2HCAR3SMPD1
SCHEMBL5279564 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