SCHEMBL21769744

SCHEMBL21769744

CCN(C(=O)C1CCSCC1)c1cc(C)c(F)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CNR2 P34972 2/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ RIPK1 Q13546 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ HPGD P15428 1/20 0.30
▸ TSHR P16473 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
SCHEMBL21769889 0.75 HTT (0.39) TP53SMN1; SMN2CNR2CNR1HTT
SCHEMBL21769880 0.72 LMNA (0.40) SMN1; SMN2CNR2CNR1HTTALDH1A1
SCHEMBL905171 0.65 CNR2 (0.48) TP53SMN1; SMN2CNR2CNR1ALDH1A1
SCHEMBL6843778 0.63 MLYCD (0.64) SMN1; SMN2
SCHEMBL7141111 0.62 HTT (0.63) TP53SMN1; SMN2CNR2CNR1HTT
SCHEMBL6521921 0.61 HTR2C (0.43) CNR2CNR1
SCHEMBL6843906 0.61 MLYCD (0.61) SMN1; SMN2
SCHEMBL5085615 0.61 CNR2 (0.53) CNR2CNR1
SCHEMBL2938750 0.60 MLYCD (0.60) SMN1; SMN2CNR2CNR1
Hydrochloric Acid SCHEMBL3394146 0.60 HTR2C (0.44) —

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-2020038812-A1 NEW PROCESS FOR THE PREPARATION OF AMENAMEVIR RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-02-27 — — WO disclosed
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