SCHEMBL20769661

SCHEMBL20769661

O=C(O)Cc1cn(CC2CCCCC2)c2ccc(Cl)cc12

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 7/20 0.55
▸ ICMT O60725 8/20 0.53
▸ CNR2 P34972 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ AKR1C3 P42330 2/20 0.43
▸ AKR1C2 P52895 2/20 0.43
▸ TBXAS1 P24557 1/20 0.42
▸ PPARG P37231 1/20 0.41
▸ PPARD Q03181 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ AKR1C4 P17516 1/20 0.41
▸ PTGS1 P23219 1/20 0.41

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
SCHEMBL22439063 0.86 ICMT (0.48) CNR1ICMTCNR2TBXAS1
SCHEMBL20769671 0.81 KCNH2 (0.45) CNR1ALDH1A1LMNAAKR1C3AKR1C2
SCHEMBL20769715 0.79 AKR1C3 (0.46) CNR2ALDH1A1LMNAAKR1C3AKR1C2
SCHEMBL7682923 0.79 ICMT (0.54) CNR1ICMTCNR2TBXAS1
SCHEMBL20769719 0.77 ALDH1A1 (0.65) ICMTALDH1A1LMNAAKR1C3AKR1C2
SCHEMBL20787913 0.77 CNR1 (0.55) CNR1CNR2
SCHEMBL20769700 0.76 LMNA (0.75) ICMTCNR2ALDH1A1LMNAPPARG
SCHEMBL28365671 0.76 CDC25A (0.56) CNR1ICMTCNR2ALDH1A1LMNA
SCHEMBL2642840 0.76 CNR1 (0.66) CNR1CNR2
SCHEMBL20769701 0.75 ICMT (0.57) ICMTALDH1A1LMNAAKR1C3AKR1C2

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-2019046668-A1 AMIDE SUBSTITUTED THIAZOLES AS PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2019-03-07 — — WO disclosed
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