SCHEMBL13655358

SCHEMBL13655358

NC1=NCC(c2ccc(C#Cc3cc(F)cc(F)c3)cc2)N1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 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
SCHEMBL13655361 0.82 MAPT (0.43) GRM5
SCHEMBL17887717 0.70 NOS1 (0.41)
SCHEMBL13655204 0.70 NOS1 (0.41)
SCHEMBL27214765 0.69 GRM5 (0.44) GRM5
SCHEMBL27214764 0.62 GRM5 (0.48) GRM5CHRNB2CHRNA4
SCHEMBL13971099 0.62 PRKCZ (0.39)
SCHEMBL20813871 0.60 GRM5 (0.47) GRM5
SCHEMBL4234350 0.60 MASP2 (0.50) CHRNB2CHRNA4
SCHEMBL17104746 0.60 SNCA (0.52)
SCHEMBL6369908 0.60 APP (0.60) GRM5

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
WO-2009123753-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-08 WO disclosed