SCHEMBL31098804

SCHEMBL31098804

Cc1cccc(N(C)C(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)OCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
AGTR2 P50052 2/20 0.39
F10 P00742 2/20 0.39
ACE2 Q9BYF1 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
PREP P48147 1/20 0.37
PTGIR P43119 1/20 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
SCHEMBL31098801 0.84 POLQ (0.38) CHRM2CHRM1CHRM3PTGIR
SCHEMBL31098815 0.83 GPR119 (0.41) MEN1KMT2ANPSR1
SCHEMBL31098805 0.83 GPR119 (0.41) MEN1KMT2ANPSR1
SCHEMBL31098793 0.83 GPR119 (0.41) MEN1KMT2ANPSR1
SCHEMBL4386402 0.80 GFER (0.58) GFERMEN1KMT2ANPSR1PREP
SCHEMBL16361486 0.79 AGTR2 (0.52) MEN1KMT2AAGTR2NPSR1PREP
SCHEMBL20487600 0.79 AGTR2 (0.52) MEN1KMT2AAGTR2NPSR1PREP
SCHEMBL16321222 0.79 AGTR2 (0.52) MEN1KMT2AAGTR2NPSR1PREP
SCHEMBL13318715 0.78 ALDH1A1 (0.44) AGTR2NPSR1PREP
SCHEMBL464112 0.78 ALDH1A1 (0.44) AGTR2NPSR1PREP

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-2024191988-A1 3,4-FUSED BICYCLIC PYRROLIDINE AND 3,4-FUSED BICYCLIC PYRROLIDINONE COMPOUNDS CYTEIR THERAPEUTICS, INC. (US) 2024-09-19 WO disclosed