SCHEMBL26022702

SCHEMBL26022702

CCN1CCCC(CC2CCOCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
HSD11B1 P28845 2/20 0.34
HRH3 Q9Y5N1 2/20 0.33
ACHE P22303 1/20 0.32
CHRM5 P08912 1/20 0.31
ADRA2C P18825 1/20 0.31
EPHX1 P07099 2/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP2D6 P10635 1/20 0.30
EPHX2 P34913 1/20 0.30
KMT2A Q03164 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
SCHEMBL7738185 0.81 HSD11B1 (0.47) SMN1; SMN2HSD11B1HRH3ACHECHRM5
SCHEMBL22793920 0.80 SMN1; SMN2 (0.46) SMN1; SMN2HSD11B1HRH3ACHEEPHX1
SCHEMBL2759515 0.77 SMN1; SMN2 (0.41) SMN1; SMN2HSD11B1HRH3ACHECHRM5
SCHEMBL11826729 0.73 SMN1; SMN2 (0.38) SMN1; SMN2HSD11B1HRH3ACHECHRM5
SCHEMBL20970530 0.73 EBP (0.41) ACHECHRM5ADRA2CKDM4EALDH1A1
SCHEMBL6672852 0.73 SMN1; SMN2 (0.38) SMN1; SMN2HSD11B1HRH3ACHECHRM5
SCHEMBL21440443 0.72 NCF1 (0.48) HRH3ACHEKDM4EALDH1A1
SCHEMBL4550260 0.72 SMN1; SMN2 (0.41) SMN1; SMN2HSD11B1KDM4EKMT2A
SCHEMBL27267481 0.72 NCF1 (0.48) SMN1; SMN2HRH3ACHEEPHX1EPHX2
SCHEMBL26480956 0.72 SMN1; SMN2 (0.41) SMN1; SMN2HSD11B1HRH3EPHX1KDM4E

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-3640248-B1 AMINOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING ADAMADLE BIOTECHNOLOGY LLC (CN) 2023-08-23 EP disclosed