SCHEMBL30669504

SCHEMBL30669504

O=C(OC1SCCCS1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.49
CHRM2 P08172 2/20 0.47
CHRM4 P08173 2/20 0.47
CHRM1 P11229 2/20 0.47
CHRM3 P20309 2/20 0.47
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
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
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.44
FAAH O00519 2/20 0.44
TSHR P16473 1/20 0.42
SLC18A3 Q16572 1/20 0.40

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
SCHEMBL11047049 0.79 KMT2A (0.49) CHRNA7CHRM2CHRM4CHRM1CHRM3
SCHEMBL11044178 0.78 KMT2A (0.48) CHRNA7CHRM2CHRM4CHRM1CHRM3
SCHEMBL1784852 0.73 CHRNA7 (0.63) CHRNA7CHRM2CHRM4CHRM1CHRM3
SCHEMBL9066818 0.72 BCHE (0.43) CHRNA7CHRM2CHRM4CHRM1CHRM3
SCHEMBL29804712 0.72 CHRNA7 (0.54) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL21768324 0.72 LMNA (0.61) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7154462 0.72 LMNA (0.61) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL16114988 0.72 FAAH (0.33) FAAH
SCHEMBL7154464 0.72 LMNA (0.61) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL10907426 0.72 SLC18A3 (0.61) CHRNA7CHRM2CHRM4CHRM1CHRM3

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-117069645-A Tryptophan and C2 alkylation modification method for tryptophan-containing polypeptide 兰州大学 2023-11-17 CN disclosed