SCHEMBL5360042

SCHEMBL5360042

Cn1c(CN2C[C@@H]3[C@H](C2)[C@@H]3NC(=O)OC(C)(C)C)nc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.49
MAPT P10636 1/20 0.47
GRM2 Q14416 5/20 0.46
DRD4 P21917 2/20 0.46
ALDH1A1 P00352 2/20 0.46
DRD2 P14416 2/20 0.46
DRD3 P35462 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL8919552 0.77 KMT2A (0.57) HRH3
SCHEMBL30466612 0.76 MAPT (0.70) MAPTALDH1A1HDAC6KDM4E
SCHEMBL28366489 0.76 MAPT (0.70) MAPTALDH1A1HDAC6KDM4E
SCHEMBL5321848 0.76 GRM2 (0.49) MAPTGRM2DRD4ALDH1A1DRD2
SCHEMBL5328000 0.75 GRM2 (0.55) GRM2DRD4DRD2DRD3
SCHEMBL5327996 0.75 GRM2 (0.55) GRM2DRD4DRD2DRD3
SCHEMBL5324285 0.75 GRM2 (0.55) GRM2DRD4DRD2DRD3
SCHEMBL5325773 0.75 GRM2 (0.55) GRM2DRD4DRD2DRD3
SCHEMBL5325461 0.75 GRM2 (0.57) GRM2DRD4DRD2DRD3
SCHEMBL5326833 0.75 GRM2 (0.57) GRM2DRD4DRD2DRD3

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-2007135527-A2 BENZIMIDAZOLYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-29 WO disclosed