SCHEMBL8220849

SCHEMBL8220849

COc1cc(-c2nnc(N3CCCCC3c3nnn(-c4cccc(N)c4)n3)n2C)ccn1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 3/20 0.36
CPT2 P23786 2/20 0.36
USP30 Q70CQ3 1/20 0.34
GRM5 P41594 1/20 0.34
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL5628529 0.91 GRM5 (0.43) CPT1ACPT2USP30GRM5
SCHEMBL8225979 0.90 CPT1A (0.36) CPT1ACPT2GRM5
SCHEMBL4078261 0.89 GRM5 (0.39) CPT1ACPT2USP30GRM5
SCHEMBL4078277 0.89 GRM5 (0.39) CPT1ACPT2USP30GRM5
SCHEMBL8230979 0.88 GRM5 (0.36) CPT1ACPT2GRM5
SCHEMBL5631797 0.86 USP30 (0.40) CPT1ACPT2USP30GRM5KCNH2
SCHEMBL5631775 0.86 USP30 (0.40) CPT1ACPT2USP30GRM5KCNH2
SCHEMBL4377245 0.81 GRM5 (0.45) CPT1ACPT2GRM5
SCHEMBL4076476 0.79 GRM5 (0.40) CPT1ACPT2GRM5
SCHEMBL4076468 0.79 GRM5 (0.40) CPT1ACPT2GRM5

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-2007130821-A2 MGLUR5 MODULATORS II ASTRAZENECA AB (SE) 2007-11-15 WO disclosed