SCHEMBL8225979

SCHEMBL8225979

Cc1cc(-c2nnc(N3CCCC[C@@H]3c3nnn(-c4cccc(N)c4)n3)n2C)ccn1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 4/20 0.36
CPT2 P23786 3/20 0.36
GRM5 P41594 1/20 0.35
HPGD P15428 1/20 0.32

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
SCHEMBL8230979 0.97 GRM5 (0.36) CPT1ACPT2GRM5HPGD
SCHEMBL8220849 0.90 CPT1A (0.36) CPT1ACPT2GRM5
SCHEMBL4377245 0.90 GRM5 (0.45) CPT1ACPT2GRM5
SCHEMBL4076476 0.88 GRM5 (0.40) CPT1ACPT2GRM5
SCHEMBL4076468 0.88 GRM5 (0.40) CPT1ACPT2GRM5
SCHEMBL5630184 0.87 GRM5 (0.46) CPT1ACPT2GRM5
SCHEMBL5630197 0.87 GRM5 (0.46) CPT1ACPT2GRM5
SCHEMBL4072117 0.85 GRM5 (0.41) GRM5
SCHEMBL5633655 0.85 GRM5 (0.41) GRM5
SCHEMBL5628529 0.81 GRM5 (0.43) 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