SCHEMBL8230979

SCHEMBL8230979

Cc1cc(-c2nnc(N3CCC[C@@H]3c3nnn(-c4cccc(N)c4)n3)n2C)ccn1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.36
CPT1A P50416 2/20 0.33
CPT2 P23786 1/20 0.33
ADRA2C P18825 1/20 0.31
HPGD P15428 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 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
SCHEMBL8225979 0.97 CPT1A (0.36) GRM5CPT1ACPT2HPGD
SCHEMBL5630184 0.90 GRM5 (0.46) GRM5CPT1ACPT2
SCHEMBL5630197 0.90 GRM5 (0.46) GRM5CPT1ACPT2
SCHEMBL8220849 0.88 CPT1A (0.36) GRM5CPT1ACPT2
SCHEMBL5633655 0.88 GRM5 (0.41) GRM5
SCHEMBL4072117 0.88 GRM5 (0.41) GRM5
SCHEMBL4377245 0.87 GRM5 (0.45) GRM5CPT1ACPT2
SCHEMBL4076468 0.85 GRM5 (0.40) GRM5CPT1ACPT2
SCHEMBL4076476 0.85 GRM5 (0.40) GRM5CPT1ACPT2
SCHEMBL5631797 0.79 USP30 (0.40) GRM5CPT1ACPT2

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-2007130822-A2 MGLUR5 MODULATORS III ASTRAZENECA AB (SE) 2007-11-15 WO disclosed