SCHEMBL24880446

SCHEMBL24880446

CCOC(=O)c1cnc(N2CCC(OC)CC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.47
ACACB O00763 1/20 0.47
OGA O60502 1/20 0.47
AOC3 Q16853 2/20 0.47
DGAT2 Q96PD7 4/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
PIK3CA P42336 1/20 0.40
KCNQ3 O43525 3/20 0.40
KCNQ2 O43526 3/20 0.40
KCNQ4 P56696 1/20 0.40
KCNQ5 Q9NR82 1/20 0.40
P2RY12 Q9H244 1/20 0.39
CYP19A1 P11511 1/20 0.39
FDFT1 P37268 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
OPRK1 P41145 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
SCHEMBL24880761 0.90 ACACB (0.47) HRH3ACACBOGADGAT2POLB
SCHEMBL24881050 0.90 ACACB (0.47) HRH3ACACBOGADGAT2POLB
SCHEMBL15994455 0.86 OGA (0.49) HRH3ACACBOGAPOLBMAPT
SCHEMBL4211279 0.86 OGA (0.49) HRH3ACACBOGAAOC3POLB
SCHEMBL753762 0.85 OGA (0.48) HRH3ACACBOGAPOLBMAPT
SCHEMBL15994451 0.85 OGA (0.48) HRH3ACACBOGAPOLBMAPT
SCHEMBL24126692 0.84 OGA (0.53) HRH3ACACBOGAPOLBMAPT
SCHEMBL2622717 0.84 OGA (0.47) HRH3ACACBOGAPOLBMAPT
SCHEMBL12952642 0.83 POLB (0.54) ACACBOGADGAT2POLBMAPT
SCHEMBL6984326 0.83 MAPT (0.57) HRH3ACACBOGAPOLBMAPT

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-2023280237-A1 SYNTHESIS AND APPLICATION OF PHOSPHATASE DEGRADER 海创药业股份有限公司 2023-01-12 WO disclosed