SCHEMBL21036749

SCHEMBL21036749

N#CC1CCN(C2CCOCC2)C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.35
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
KDM2B Q8NHM5 2/20 0.32
KDM4E B2RXH2 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL20096182 0.80 KDM2B (0.42) L3MBTL3KDM2BHRH3
SCHEMBL20095966 0.80 KDM2B (0.42) L3MBTL3KDM2BHRH3
SCHEMBL20095968 0.80 KDM2B (0.42) L3MBTL3KDM2BHRH3
SCHEMBL23588931 0.78 L3MBTL3 (0.33) L3MBTL3KDM2B
SCHEMBL15014587 0.77 KDM2B (0.37) L3MBTL3ALDH1A1KDM2BKDM4E
SCHEMBL17285903 0.77 ALDH1A1 (0.41) L3MBTL3ALDH1A1KDM2BHRH3
SCHEMBL23589017 0.74 HRH3 (0.33) ALDH1A1KDM2BKDM4EHRH3
SCHEMBL24854194 0.74 HRH3 (0.33) ALDH1A1KDM2BKDM4EHRH3
SCHEMBL18673328 0.73 KDM2B (0.38) L3MBTL3KDM2B
SCHEMBL12384697 0.73 OPRL1 (0.38) KDM2B

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
EP-3489231-A1 PIPERAZINE DERIVATIVE Astellas Pharma Inc. (JP) 2019-05-29 EP disclosed