SCHEMBL8659591

SCHEMBL8659591

O=C(O)c1cc2c(N3CCN(CCC(C(=O)N4CCCCCC4)c4ccccc4)CC3)cccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.60
HTR1D P28221 1/20 0.60
HTR2B P41595 1/20 0.60
DRD3 P35462 5/20 0.42
DRD2 P14416 3/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
DRD4 P21917 4/20 0.41
HRH4 Q9H3N8 2/20 0.39
HRH1 P35367 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
OPRM1 P35372 1/20 0.37
P2RX7 Q99572 1/20 0.37
CHRM1 P11229 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL8878656 0.90 HTR1A (0.63) HTR1AHTR1DHTR2BDRD3DRD2
SCHEMBL8653994 0.90 HTR1A (0.63) HTR1AHTR1DHTR2BDRD3DRD2
SCHEMBL8878091 0.90 HTR1A (0.63) HTR1AHTR1DHTR2BDRD3DRD2
SCHEMBL8654532 0.86 HTR1A (0.64) HTR1AHTR1DHTR2BDRD3DRD2
SCHEMBL8653841 0.84 HTR1A (0.63) HTR1AHTR1DHTR2BDRD3DRD2
SCHEMBL8995895 0.79 HTR1A (0.73) HTR1AHTR1DHTR2BALDH1A1LMNA
SCHEMBL8652998 0.77 HTR1A (0.62) HTR1AHTR1DHTR2BDRD3DRD2
SCHEMBL8653834 0.76 HTR1A (0.63) HTR1AHTR1DHTR2BDRD3DRD2
SCHEMBL8065712 0.75 HTR1A (1.00) HTR1AHTR1DHTR2BDRD2HTR2A
SCHEMBL6546383 0.75 HTR1A (1.00) HTR1AHTR1DHTR2BDRD2HTR2A

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
EP-0678090-B1 PIPERAZINE DERIVATIVES WYETH JOHN & BROTHER LTD (GB) 1998-10-14 EP disclosed
US-5627177-A Piperazine derivatives JOHN WYETH & BROTHER, LTD. (GB) 1997-05-06 US disclosed