SCHEMBL29601203

SCHEMBL29601203

N#Cc1ccc(OC2CCOCC2)cn1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.53
LRRK2 Q5S007 2/20 0.43
PDE9A O76083 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
TBK1 Q9UHD2 6/20 0.37
IKBKE Q14164 3/20 0.37
CHRM4 P08173 4/20 0.37

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
SCHEMBL22589726 0.91 CHEK1 (0.46) CHEK1LRRK2
SCHEMBL22589727 0.91 CHEK1 (0.46) CHEK1LRRK2
SCHEMBL31003122 0.89 HRH3 (0.42) CHEK1HRH3CHRM4
SCHEMBL22583070 0.84 CHEK1 (0.39) CHEK1HRH3CHRM4
SCHEMBL2585740 0.84 HRH3 (0.46) CHEK1HRH3CHRM4
SCHEMBL2584697 0.84 HRH3 (0.46) CHEK1HRH3CHRM4
SCHEMBL21606953 0.81 HRH1 (0.49) CHEK1HRH3
SCHEMBL28668218 0.81 HRH3 (0.55) HRH3
SCHEMBL22138855 0.81 HRH3 (0.55) HRH3
SCHEMBL29633126 0.81 HRH3 (0.55) HRH3

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
EP-4232449-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES Celgene Corporation (US) 2023-08-30 EP disclosed
WO-2022087326-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CELGENE CORPORATION (US) 2022-04-28 WO disclosed