SCHEMBL21764853

SCHEMBL21764853

CC(C)N1CCC2(CCN(c3ccc(C#N)cc3)C2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.43
POLB P06746 2/20 0.40
ELANE P08246 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
LIPE Q05469 5/20 0.39
ITGB3 P05106 4/20 0.39
ITGA2B P08514 4/20 0.39
METAP2 P50579 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
KCNH2 Q12809 1/20 0.38
PGR P06401 2/20 0.38
EGLN1 Q9GZT9 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
SCHEMBL21764939 0.82 USP2 (0.43) HRH3POLBELANEKDM4EITGB3
SCHEMBL9963250 0.81 CYP2D6 (0.50) MEN1KMT2AITGB3ITGA2BMETAP2
Hydrochloric Acid SCHEMBL21753301 0.81 USP2 (0.42) HRH3POLBELANEKDM4EITGB3
SCHEMBL21753321 0.78 ITGB3 (0.48) ELANEMEN1KMT2AITGB3ITGA2B
SCHEMBL21765127 0.75 OGA (0.49) LIPEMETAP2
SCHEMBL21765218 0.75 OGA (0.49) LIPEMETAP2
SCHEMBL21765128 0.75 OGA (0.49) LIPEMETAP2
SCHEMBL21753327 0.74 HRH3 (0.55) HRH3ALDH1A1ITGB3ITGA2B
SCHEMBL23384006 0.71 KDM4E (0.61) HRH3POLBKDM4EALDH1A1MAPT
SCHEMBL5429590 0.71 CYP3A4 (0.41) POLBMEN1ALDH1A1LMNAMAPT

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
WO-2020039029-A1 SPIRO COMPOUNDS AS GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2020-02-27 WO disclosed