SCHEMBL28853756

SCHEMBL28853756

NCc1cccc(C2CCCN(C=O)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.48
DRD3 P35462 8/20 0.48
DRD1 P21728 4/20 0.48
DRD4 P21917 4/20 0.48
DRD5 P21918 4/20 0.48
TPSAB1 Q15661 2/20 0.43

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
SCHEMBL28853754 0.81 DRD3 (0.50) DRD2DRD3DRD1DRD4DRD5
SCHEMBL14323106 0.79 DRD2 (0.54) DRD2DRD3DRD1DRD4DRD5
SCHEMBL23009630 0.79 SCD5 (0.46) DRD2DRD3DRD1DRD4DRD5
Formic Acid SCHEMBL27536013 0.79 TPSAB1 (0.45) DRD2DRD3DRD1DRD4DRD5
SCHEMBL16368536 0.77 HDAC4 (0.47) DRD2DRD3DRD1DRD4DRD5
SCHEMBL30531117 0.77 PRMT6 (0.44) DRD2DRD3DRD1DRD4DRD5
SCHEMBL25359641 0.77 PRMT6 (0.44) DRD2DRD3DRD1DRD4DRD5
SCHEMBL8287053 0.76 KMO (0.49) DRD2DRD3DRD1DRD4DRD5
Hydrochloric Acid SCHEMBL15922780 0.76 TPSAB1 (0.43) DRD2DRD3DRD1DRD4DRD5
Hydrochloric Acid SCHEMBL16343416 0.76 HDAC4 (0.46) DRD2DRD3DRD1DRD4DRD5

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
CN-105452233-B Piperidine and azepane derivatives as prokineticin receptor modulators 武田药品工业株式会社 2017-12-08 CN claimed
CN-105452233-B Piperidine and azepane derivatives as prokineticin receptor modulators 武田药品工业株式会社 2017-12-08 CN disclosed