SCHEMBL29957271

SCHEMBL29957271

CN(C)C1CCN(CCC=O)C1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.40
HRH3 Q9Y5N1 12/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
SMYD3 Q9H7B4 1/20 0.33
TLR7 Q9NYK1 1/20 0.33

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
SCHEMBL16924645 0.89 L3MBTL3 (0.36) HRH3
SCHEMBL5593756 0.81 KDM1A (0.36) KDM1AHRH3HRH2HRH1
SCHEMBL13693766 0.81 KDM1A (0.36) KDM1AHRH3HRH2HRH1
SCHEMBL4371589 0.79 KDM1A (0.43) KDM1AHRH3HRH2HRH1TLR7
SCHEMBL13462578 0.77 KDM1A (0.43) KDM1AHRH3HRH2HRH1
SCHEMBL12155274 0.77 KDM1A (0.43) KDM1AHRH3HRH2HRH1
SCHEMBL10198692 0.77 KDM1A (0.43) KDM1AHRH3HRH2HRH1
SCHEMBL5663352 0.76 HRH3 (0.46) KDM1AHRH3HRH2HRH1TLR7
SCHEMBL2560103 0.76 CARM1 (0.38) HRH3
SCHEMBL4371593 0.76 KDM1A (0.43) KDM1AHRH3HRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed