SCHEMBL22761790

SCHEMBL22761790

CC(C)(C)OC(=O)N1CCC[C@H]1Cn1ccc(-c2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ UCHL1 P09936 2/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ USP30 Q70CQ3 3/20 0.41
▸ DAGLA Q9Y4D2 1/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ PDE8B O95263 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ PRMT5 O14744 1/20 0.40
▸ ALOX5AP P20292 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ ACKR3 P25106 1/20 0.40
▸ KLK7 P49862 1/20 0.40
▸ BTK Q06187 1/20 0.40
▸ KCNJ6 P48051 1/20 0.39

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
SCHEMBL22768008 0.85 DAGLA (0.45) DAGLAHRH3BTKKCNJ6KCNJ5
SCHEMBL30745364 0.80 PDE8B (0.46) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL2579697 0.77 PRMT5 (0.46) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL2579693 0.77 PRMT5 (0.46) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL30745373 0.77 KMT2A (0.49) MEN1KMT2AALDH1A1LMNAUCHL1
SCHEMBL20949 0.77 PDE8B (0.42) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL20948 0.77 PDE8B (0.42) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL30498622 0.76 UCHL1 (0.48) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL698422 0.75 NR1H2 (0.54) MEN1KMT2AOPRD1DAGLAKDM1A
SCHEMBL698218 0.75 NR1H2 (0.54) MEN1KMT2AOPRD1DAGLAKDM1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020247445-A1 IMIDAZOLO DERIVATIVES, COMPOSITIONS AND METHODS AS OREXIN ANTAGONISTS HAGER BIOSCIENCES, LLC (US) 2020-12-10 — — WO disclosed
WO-2020247447-A1 PYRAZOLE AND IMIDAZOLE DERIVATIVES, COMPOSITIONS AND METHODS AS OREXIN ANTAGONISTS HAGER BIOSCIENCES, LLC (US) 2020-12-10 — — WO disclosed
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