SCHEMBL29023778

SCHEMBL29023778

CCC1CN(CCCCN(CCCCN2CCOC(CC)C2)CCCCN2CCOC(CC)C2)CCO1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.35
EPHA2 P29317 4/20 0.31
KDR P35968 4/20 0.31
EPHB4 P54760 4/20 0.31
EBP Q15125 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
DRD4 P21917 4/20 0.31
HTR1A P08908 3/20 0.31
DRD1 P21728 3/20 0.31
DRD5 P21918 3/20 0.31
BCHE P06276 1/20 0.31
DRD2 P14416 2/20 0.30

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
SCHEMBL1029381 0.88 DRD3 (0.38) DRD3HRH3DRD4
SCHEMBL10815638 0.85 EBP (0.44) DRD3EBPSIGMAR1DRD4HTR1A
SCHEMBL22463761 0.83 EBP (0.47) DRD3EBPSIGMAR1DRD4HTR1A
SCHEMBL5659819 0.83 EBP (0.47) DRD3EBPSIGMAR1DRD4HTR1A
SCHEMBL11576109 0.83 DRD3 (0.42) DRD3EBPSIGMAR1HRH3DRD4
SCHEMBL9785665 0.83 DRD3 (0.35) DRD3HRH3DRD4
SCHEMBL9785673 0.83 HRH3 (0.38) DRD3SIGMAR1HRH3
SCHEMBL9785715 0.83 DRD3 (0.35) DRD3HRH3DRD4
SCHEMBL12075474 0.82 KEAP1 (0.43) DRD3EBPSIGMAR1HRH3
SCHEMBL9785664 0.81 KDM1A (0.39) DRD3DRD1

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
CN-116323852-A Composition for sealing covered wire, and covered wire 东亚合成株式会社 2023-06-23 CN disclosed