SCHEMBL9534617

SCHEMBL9534617

O=C(Cl)CN1C(=O)CC(OC(=O)c2ccccc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL22571124 0.82 ALDH1A1 (0.56) CHRNA7ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL22571125 0.82 ALDH1A1 (0.56) CHRNA7ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL9531239 0.79 SMN1; SMN2 (0.46) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL9530731 0.77 TSHR (0.33) CHRM2CHRM4CHRM1CHRM3
SCHEMBL7099567 0.77 KMT2A (0.43) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL24223726 0.76 ALDH1A1 (0.49) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL9774300 0.76 KMT2A (0.42) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL22571091 0.74 GAA (0.46) CHRNA7ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL22571089 0.74 GAA (0.46) CHRNA7ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL24223605 0.73 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0252744-B1 3-Beta-(3,4-disubstituted succinimido)azetidinones LILLY CO ELI (US) 1993-12-15 EP disclosed
US-4734498-A 3β-succinimidoazetidinones as chiral intermediates ELI LILLY AND COMPANY (US) 1988-03-29 US disclosed
EP-0252744-A2 3-Beta-(3,4-disubstituted succinimido)azetidinones ELI LILLY AND COMPANY (US) 1988-01-13 EP disclosed