SCHEMBL7413612

SCHEMBL7413612

CCCCN1CC[C@H](c2ccc(N(C)C)cc2)[C@@H](COc2ccccc2C#N)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 1/20 0.40
SIGMAR1 Q99720 8/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
SLC18A2 Q05940 1/20 0.36
HTR1A P08908 3/20 0.35
HTR7 P34969 2/20 0.35
DRD2 P14416 2/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HTR2A P28223 1/20 0.35
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL7413625 1.00 MEN1 (0.40) MEN1KMT2ASIGMAR1NOS3NOS1
SCHEMBL7413619 1.00 MEN1 (0.40) MEN1KMT2ASIGMAR1NOS3NOS1
SCHEMBL7745178 0.90 MEN1 (0.46) MEN1KMT2ASIGMAR1HTR1AHTR7
SCHEMBL7745184 0.90 MEN1 (0.46) MEN1KMT2ASIGMAR1HTR1AHTR7
SCHEMBL7745181 0.90 MEN1 (0.46) MEN1KMT2ASIGMAR1HTR1AHTR7
SCHEMBL7416276 0.88 SIGMAR1 (0.40) SIGMAR1SLC18A2HTR1ADRD2DRD1
SCHEMBL8720821 0.88 SIGMAR1 (0.40) SIGMAR1SLC18A2HTR1ADRD2DRD1
Hydrochloric Acid SCHEMBL8722835 0.87 SIGMAR1 (0.41) SIGMAR1SLC18A2HTR1ADRD2DRD1
SCHEMBL7418267 0.84 DRD2 (0.39) SIGMAR1SLC18A2HTR1AHTR7DRD2
SCHEMBL7418270 0.84 DRD2 (0.39) SIGMAR1SLC18A2HTR1AHTR7DRD2

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 3 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-A1 PIPERIDINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1993-09-08 EP claimed
WO-1992001672-A1 PIPERIDINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1992-02-06 WO claimed