SCHEMBL28223255

SCHEMBL28223255

O=C(OC1C2CC3CC(C2)CC1C3)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.49
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
HSD11B1 P28845 4/20 0.46
EPHX2 P34913 2/20 0.46
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.45
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
F2 P00734 1/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43

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
SCHEMBL22738485 0.83 SCN1A (0.49) HSD11B1EPHX2KMT2ALMNAMEN1
SCHEMBL21374400 0.83 PTPN2 (0.57) CHRNA7HSD11B1EPHX2KMT2AMEN1
SCHEMBL21768324 0.80 LMNA (0.61) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7154464 0.80 LMNA (0.61) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7154462 0.80 LMNA (0.61) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL24040252 0.80 DGAT1 (0.51) CHRNA7HSD11B1EPHX2GAATSHR
SCHEMBL27138259 0.79 CHRNA7 (0.53) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL26705642 0.79 CHRNA7 (0.53) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL28531024 0.79 HSD11B1 (0.43) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL28062260 0.79 EPHX2 (0.41) HSD11B1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137485-A Process for producing benzoic acid amide compound 爱茉莉太平洋股份有限公司 2018-06-08 CN claimed
CN-111479806-B D-amino acid oxidase inhibitors and therapeutic uses thereof 心悦生医股份有限公司 2024-01-30 CN disclosed
CN-114192118-B Bonded three-dimensional covalent organic framework chromatographic column and separation application thereof 江南大学 2022-09-23 CN disclosed
CN-114192118-A Bonded three-dimensional covalent organic framework chromatographic column and separation application thereof 江南大学 2022-03-18 CN disclosed
CN-108137485-A Process for producing benzoic acid amide compound 爱茉莉太平洋股份有限公司 2018-06-08 CN disclosed