SCHEMBL8718276

SCHEMBL8718276

CCCCN1CCC(c2ccc(N(C)C)cc2)C(COc2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
HRH3 Q9Y5N1 3/20 0.41
SLC6A4 P31645 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
HRH1 P35367 1/20 0.38
CCR3 P51677 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SLC18A2 Q05940 1/20 0.35

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
SCHEMBL8722858 1.00 KDM4E (0.42) KDM4EHRH3SLC6A4L3MBTL1HRH1
SCHEMBL8722860 1.00 KDM4E (0.42) KDM4EHRH3SLC6A4L3MBTL1HRH1
SCHEMBL7424654 0.89 SLC6A3 (0.45) HRH3SIGMAR1SLC6A3
SCHEMBL7424665 0.89 SLC6A3 (0.45) HRH3SIGMAR1SLC6A3
SCHEMBL7422049 0.89 SLC6A3 (0.45) HRH3SIGMAR1SLC6A3
SCHEMBL8717975 0.86 SLC18A2 (0.39) HRH3SLC6A4L3MBTL1HRH1SIGMAR1
SCHEMBL7414244 0.86 SLC18A2 (0.39) HRH3SLC6A4L3MBTL1HRH1SIGMAR1
Hydrochloric Acid SCHEMBL8720630 0.85 SLC18A2 (0.38) HRH3L3MBTL1HRH1SIGMAR1SLC18A2
SCHEMBL7419970 0.85 L3MBTL1 (0.45) SLC6A4L3MBTL1HTR1ADRD2DRD1
SCHEMBL7413506 0.85 HRH3 (0.40) HRH3L3MBTL1HRH1SIGMAR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0558487-B1 PIPERIDINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1998-10-07 EP claimed
EP-0558487-B1 PIPERIDINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1998-10-07 EP disclosed
US-5328917-A Aminoalkyl and phenyl substituted hydrogenated pyridines NOVO NORDISK A/S (DK) 1994-07-12 US disclosed
EP-0558487-A1 PIPERIDINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1993-09-08 EP disclosed