SCHEMBL4404404

SCHEMBL4404404

CC(C)Cn1nnc(Br)n1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
TOP2A P11388 2/20 0.38
GRM2 Q14416 1/20 0.35
CSNK2A1 P68400 3/20 0.34

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
SCHEMBL4409410 0.76 TRPV1 (0.44) TRPV1CNR1CNR2TOP2A
SCHEMBL4414681 0.76 TRPV1 (0.44) TRPV1CNR1CNR2TOP2A
SCHEMBL12763765 0.74 TRPV1 (0.46) TRPV1CNR1CNR2TOP2A
SCHEMBL4408824 0.74 TRPV1 (0.42) TRPV1CNR1CNR2TOP2A
SCHEMBL4407682 0.74 TRPV1 (0.42) TRPV1CNR1CNR2TOP2A
SCHEMBL4409005 0.72 TRPV1 (0.53) TRPV1CNR1CNR2TOP2A
SCHEMBL4408960 0.72 TRPV1 (0.53) TRPV1CNR1CNR2TOP2A
SCHEMBL24666919 0.71 TRPV1 (0.41) TRPV1CNR1CNR2TOP2A
SCHEMBL22576645 0.71 TRPV1 (0.41) TRPV1CNR1CNR2TOP2A
SCHEMBL4403782 0.71 TRPV1 (0.41) TRPV1CNR1CNR2TOP2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed