SCHEMBL7745181

SCHEMBL7745181

CCCCN1CCC(c2ccccc2)C(COc2ccccc2C#N)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 1/20 0.46
SIGMAR1 Q99720 8/20 0.42
HTR1A P08908 4/20 0.40
DRD2 P14416 2/20 0.40
DRD1 P21728 2/20 0.40
DRD4 P21917 2/20 0.40
DRD5 P21918 2/20 0.40
DRD3 P35462 2/20 0.40
HTR7 P34969 2/20 0.38
HTR2A P28223 1/20 0.38
GRM2 Q14416 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL7745178 1.00 MEN1 (0.46) MEN1KMT2ASIGMAR1HTR1ADRD2
SCHEMBL7745184 1.00 MEN1 (0.46) MEN1KMT2ASIGMAR1HTR1ADRD2
SCHEMBL7413612 0.90 MEN1 (0.40) MEN1KMT2ASIGMAR1HTR1ADRD2
SCHEMBL7413619 0.90 MEN1 (0.40) MEN1KMT2ASIGMAR1HTR1ADRD2
SCHEMBL7413625 0.90 MEN1 (0.40) MEN1KMT2ASIGMAR1HTR1ADRD2
SCHEMBL7745171 0.84 MEN1 (0.51) MEN1KMT2ASIGMAR1
SCHEMBL7745176 0.84 MEN1 (0.51) MEN1KMT2ASIGMAR1
SCHEMBL7745173 0.84 MEN1 (0.51) MEN1KMT2ASIGMAR1
SCHEMBL7749731 0.82 MEN1 (0.40) MEN1KMT2ASIGMAR1HTR1ADRD2
SCHEMBL7749735 0.82 MEN1 (0.40) MEN1KMT2ASIGMAR1HTR1ADRD2

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
WO-2001032178-A1 USE OF 3,4-SUBSTITUTED PIPERIDINES NOVO NORDISK A/S (DK) 2001-05-10 WO claimed
WO-2001032178-A1 USE OF 3,4-SUBSTITUTED PIPERIDINES NOVO NORDISK A/S (DK) 2001-05-10 WO disclosed