SCHEMBL28853754

SCHEMBL28853754

NCc1cccc(C2CCCN(C(=O)N3CCCC(c4cccc(CN)c4)C3)C2)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 4/20 0.50
DRD2 P14416 3/20 0.50
TPSAB1 Q15661 1/20 0.48
ALDH1A1 P00352 2/20 0.48
DRD1 P21728 1/20 0.48
DRD4 P21917 1/20 0.48
DRD5 P21918 1/20 0.48
POLB P06746 1/20 0.46

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
SCHEMBL28053546 0.81 MEN1 (0.50) TPSAB1ALDH1A1
SCHEMBL28853756 0.81 DRD2 (0.48) DRD3DRD2TPSAB1DRD1DRD4
SCHEMBL28189351 0.78 PROKR1 (0.50) TPSAB1ALDH1A1
SCHEMBL4405378 0.78 TPSAB1 (0.58) TPSAB1
SCHEMBL27878990 0.78 ALDH1A1 (0.62) DRD3DRD2ALDH1A1DRD1DRD4
Ammonia Solution, Strong SCHEMBL28053450 0.78 PROKR1 (0.49) TPSAB1ALDH1A1
SCHEMBL25359641 0.77 PRMT6 (0.44) DRD3DRD2TPSAB1DRD1DRD4
SCHEMBL16368536 0.77 HDAC4 (0.47) DRD3DRD2TPSAB1DRD1DRD4
SCHEMBL30531117 0.77 PRMT6 (0.44) DRD3DRD2TPSAB1DRD1DRD4
SCHEMBL13830735 0.77 TPSAB1 (0.60) TPSAB1

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