SCHEMBL21769889

SCHEMBL21769889

CCN(C(=O)C1CCSCC1)c1c(C)cccc1C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.39
▸ SCN4A P35499 1/20 0.38
▸ OPRM1 P35372 4/20 0.38
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ TP53 P04637 4/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL29031636 0.85 CNR2 (0.49) HTTSCN4AOPRM1CNR1CNR2
SCHEMBL21769880 0.85 LMNA (0.40) HTTCNR1CNR2MAPTSMN1; SMN2
SCHEMBL21769744 0.75 TP53 (0.36) HTTCNR1CNR2TP53SMN1; SMN2
SCHEMBL20369012 0.70 KCNK3 (0.47) SCN4AOPRM1CNR2TP53CYP3A4
SCHEMBL11505098 0.70 ALDH1A1 (0.44) SCN4ATP53MAPTALDH1A1CYP3A4
SCHEMBL2815306 0.69 HTT (0.39) HTTSCN4AOPRM1MAPTSMN1; SMN2
SCHEMBL2815309 0.69 HTT (0.39) HTTSCN4AOPRM1MAPTLMNA
SCHEMBL21769890 0.69 HTT (0.36) HTTSCN4AOPRM1MAPTSMN1; SMN2
SCHEMBL30823570 0.68 TSHR (0.43) SCN4AOPRM1TP53MAPTALDH1A1
SCHEMBL28459274 0.68 GAA (0.36) HTTOPRM1TP53MAPTALDH1A1

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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