SCHEMBL1496321

SCHEMBL1496321

CC1(C)CCc2cc(OCC3Cn4ccc(=O)nc4O3)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 10/20 1.00
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA2 P00918 1/20 0.33
GPR84 Q9NQS5 2/20 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
SCHEMBL1496317 1.00 GRM2 (1.00) GRM2KDM4EMAPTSMN1; SMN2NPSR1
SCHEMBL30120569 1.00 GRM2 (1.00) GRM2KDM4EMAPTSMN1; SMN2NPSR1
SCHEMBL1496376 1.00 GRM2 (1.00) GRM2KDM4EMAPTSMN1; SMN2NPSR1
SCHEMBL10324288 0.94 GRM2 (0.89) GRM2KDM4EMAPTSMN1; SMN2NPSR1
SCHEMBL6884741 0.94 GRM2 (0.89) GRM2KDM4EMAPTSMN1; SMN2NPSR1
SCHEMBL1495851 0.94 GRM2 (0.88) GRM2KDM4EMAPTSMN1; SMN2NPSR1
SCHEMBL1495854 0.94 GRM2 (0.88) GRM2KDM4EMAPTSMN1; SMN2NPSR1
SCHEMBL1496035 0.90 GRM2 (0.82) GRM2KDM4EMAPTSMN1; SMN2NPSR1
SCHEMBL1496031 0.90 GRM2 (0.82) GRM2KDM4EMAPTSMN1; SMN2NPSR1
SCHEMBL1496299 0.86 GRM2 (0.75) GRM2KDM4EMAPTSMN1; SMN2NPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2477994-A1 SUBSTITUTED DIHYDRO BENZOCYCLOALKYLOXYMETHYL OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF SANOFI (FR) 2012-07-25 EP disclosed
WO-2011034830-A1 SUBSTITUTED DIHYDRO BENZOCYCLOALKYLOXYMETHYL OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF SANOFI-AVENTIS (FR) 2011-03-24 WO disclosed