SCHEMBL8617445

SCHEMBL8617445

CC(C)(C)OC(=O)C1CCN(Sc2ccccn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.44
POLB P06746 1/20 0.42
ADORA2B P29275 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ELANE P08246 2/20 0.38
USP30 Q70CQ3 2/20 0.37
GRM5 P41594 1/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL8794997 0.79 HRH3 (0.41) GPR119POLBHRH3USP30ALDH1A1
SCHEMBL8621416 0.77 CYP3A4 (0.47) POLBGRM5ALDH1A1L3MBTL1
SCHEMBL4730546 0.75 GPR119 (0.65) GPR119HRH3ALDH1A1
SCHEMBL19903210 0.73 ALDH1A1 (0.46) GPR119POLBHRH3ALDH1A1
SCHEMBL8619492 0.72 ALDH1A1 (0.50) POLBALDH1A1
SCHEMBL4768721 0.72 GPR119 (0.62) GPR119POLBUSP30GRM5
SCHEMBL3804900 0.70 GPR119 (0.60) GPR119POLBUSP30GRM5
SCHEMBL8619009 0.69 KDM2B (0.47) POLBHRH3L3MBTL1
SCHEMBL4351146 0.68 LMNA (0.44) GPR119POLBELANEALDH1A1
SCHEMBL4480416 0.68 GPR119 (0.57) GPR119POLBUSP30

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
US-5767121-A ANTIINFLAMMATORY AND -ARTHRITIC AGENTS; ANTIPYRETICS; ANALGESICS; ADHESION PROTEIN EXPRESSION AND CYCLOXYGENASE AND 5-LIPOXYGENASE INHIBITORS; IMMUNOSUPPRESSANTS AND -MODULATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-16 US disclosed