SCHEMBL16004606

SCHEMBL16004606

C(#Cc1ccccc1C#Cc1ccccn1)c1ccccn1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.57
KCNH2 Q12809 2/20 0.55
CYP1A2 P05177 3/20 0.52

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
SCHEMBL30526535 1.00 GRM5 (0.57) GRM5KCNH2CYP1A2
SCHEMBL352291 0.90 GRM5 (0.65) GRM5KCNH2CYP1A2
SCHEMBL30521907 0.90 GRM5 (0.49) GRM5KCNH2CYP1A2
SCHEMBL12424795 0.86 GRM5 (0.55) GRM5KCNH2CYP1A2
SCHEMBL1921319 0.86 GRM5 (0.57) GRM5KCNH2CYP1A2
SCHEMBL1696992 0.86 GRM5 (0.58) GRM5KCNH2CYP1A2
Methyl Alcohol SCHEMBL28902013 0.85 GRM5 (0.67) GRM5KCNH2CYP1A2
SCHEMBL16382439 0.84 GRM5 (0.47) GRM5KCNH2CYP1A2
SCHEMBL17224547 0.82 GRM5 (0.54) GRM5KCNH2CYP1A2
SCHEMBL13299892 0.81 GRM5 (0.51) GRM5KCNH2CYP1A2

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
US-8828729-B1 Methods and apparatus for the detection of taggants by surface enhanced raman scattering CABOT CORPORATION (US) 2014-09-09 US disclosed