SCHEMBL30889378

SCHEMBL30889378

CC(C)(C)OC(=O)N1CC2=C(C1)CN(c1nccc(CO)c1F)C2

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.48
GPR119 Q8TDV5 9/20 0.42
GRM5 P41594 1/20 0.39
GRM1 Q13255 1/20 0.39
ACHE P22303 2/20 0.38
GRIA1 P42261 1/20 0.38
CXCR2 P25025 1/20 0.36
MAPT P10636 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
SCHEMBL20607545 0.86 AOC3 (0.54) AOC3GPR119ACHEGRIA1CXCR2
SCHEMBL28402460 0.75 AOC3 (0.39) AOC3
SCHEMBL31652066 0.74 POLB (0.45) GPR119GRM5GRM1MAPT
SCHEMBL2292608 0.70 USP2 (0.52) GPR119
SCHEMBL11366665 0.70 POLB (0.54) GPR119ACHE
SCHEMBL30798259 0.70 GPR119 (0.47) GPR119ACHE
SCHEMBL670559 0.68 ACHE (0.48) GPR119ACHECXCR2MAPT
SCHEMBL22993252 0.67 ESR2 (0.53) MAPT
SCHEMBL22993223 0.67 ESR2 (0.53) MAPT
SCHEMBL29391455 0.67 ESR2 (0.53) MAPT

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
CN-111196806-B Guanidine derivative and application thereof 广东东阳光药业股份有限公司 2024-04-26 CN disclosed