SCHEMBL7417320

SCHEMBL7417320

CCCCCN1CC[C@@H](c2ccc(F)cc2)[C@H](COCc2ccccc2)C1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
HTR1A P08908 5/20 0.41
DRD1 P21728 5/20 0.41
DRD4 P21917 5/20 0.41
DRD5 P21918 5/20 0.41
DRD3 P35462 5/20 0.41
HTR2A P28223 1/20 0.41
BCHE P06276 1/20 0.41
DRD2 P14416 4/20 0.40

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
SCHEMBL7417311 1.00 KCNH2 (0.44) KCNH2HTR1ADRD1DRD4DRD5
SCHEMBL7469196 1.00 KCNH2 (0.44) KCNH2HTR1ADRD1DRD4DRD5
Hydrochloric Acid SCHEMBL8718323 0.99 KCNH2 (0.43) KCNH2HTR1ADRD1DRD4DRD5
SCHEMBL7424905 0.88 SLC6A5 (0.44)
SCHEMBL7424918 0.88 SLC6A5 (0.44)
SCHEMBL7424897 0.88 SLC6A5 (0.44)
SCHEMBL7413951 0.87 CARM1 (0.42) HTR1ADRD1DRD4DRD5DRD3
SCHEMBL7413949 0.87 CARM1 (0.42) HTR1ADRD1DRD4DRD5DRD3
SCHEMBL7466670 0.85 BCHE (0.48) HTR2ABCHEDRD2
SCHEMBL7466673 0.85 BCHE (0.48) HTR2ABCHEDRD2

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
WO-1992001672-A1 PIPERIDINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1992-02-06 WO disclosed