SCHEMBL9565006

SCHEMBL9565006

CC(=O)OC1C(NC(=O)c2ccccn2)c2cc(C#N)ccc2C(=O)C1(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 5/20 0.43
ABCC9 O60706 7/20 0.42
GRM5 P41594 2/20 0.42
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
AR P10275 1/20 0.35
MAPT P10636 1/20 0.35
BLM P54132 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GRM1 Q13255 1/20 0.35
CRBN Q96SW2 1/20 0.35

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
SCHEMBL9565002 1.00 GRM4 (0.43) GRM4ABCC9GRM5KDM4EGAA
SCHEMBL9564998 1.00 GRM4 (0.43) GRM4ABCC9GRM5KDM4EGAA
SCHEMBL9564993 0.88 GRM4 (0.47) GRM4ABCC9GRM5KDM4EGAA
SCHEMBL9564991 0.88 GRM4 (0.47) GRM4ABCC9GRM5KDM4EGAA
SCHEMBL9564992 0.88 GRM4 (0.47) GRM4ABCC9GRM5KDM4EGAA
SCHEMBL8338039 0.74 ABCC9 (0.69) ABCC9
SCHEMBL8338045 0.74 ABCC9 (0.69) ABCC9
SCHEMBL8338034 0.74 ABCC9 (0.69) ABCC9
SCHEMBL9565138 0.73 ABCC9 (0.46) ABCC9KDM4EAR
SCHEMBL9565140 0.73 ABCC9 (0.46) ABCC9KDM4EAR

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
EP-0525768-A1 Tetralones with pharmacological activity J. URIACH & CIA. S.A. (ES) 1993-02-03 EP disclosed