SCHEMBL7745173

SCHEMBL7745173

CCCCN1CCC(c2ccccc2)C(COc2ccc(C#N)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.51
HRH3 Q9Y5N1 7/20 0.47
HRH2 P25021 6/20 0.47
HRH1 P35367 6/20 0.47
SIGMAR1 Q99720 2/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL7745176 1.00 MEN1 (0.51) MEN1HRH3HRH2HRH1SIGMAR1
SCHEMBL7745171 1.00 MEN1 (0.51) MEN1HRH3HRH2HRH1SIGMAR1
SCHEMBL8718292 0.88 HRH3 (0.49) MEN1HRH3HRH2HRH1SIGMAR1
SCHEMBL5083235 0.86 KMT2A (0.44) KMT2A
SCHEMBL5076788 0.85 KDM4E (0.48) MEN1KMT2A
SCHEMBL7745181 0.84 MEN1 (0.46) MEN1SIGMAR1KMT2A
SCHEMBL7745184 0.84 MEN1 (0.46) MEN1SIGMAR1KMT2A
SCHEMBL7745178 0.84 MEN1 (0.46) MEN1SIGMAR1KMT2A
SCHEMBL7412808 0.84 HRH3 (0.46) MEN1HRH3HRH2HRH1SIGMAR1
SCHEMBL9094149 0.83 HRH3 (0.44) MEN1HRH3HRH2HRH1SIGMAR1

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