SCHEMBL9430690

SCHEMBL9430690

O=C1CC(OC(=O)c2ccccc2)CN1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.53
GAA P10253 1/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
TSHR P16473 1/20 0.43
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
F2 P00734 1/20 0.41
LMNA P02545 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
CHRM2 P08172 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
SCHEMBL27572252 0.84 CHRNA7 (0.54) CHRNA7GAAMEN1KMT2AHTR3E
SCHEMBL8568310 0.80 CHRNA7 (0.49) CHRNA7GAAMEN1KMT2AHTR3E
SCHEMBL8568313 0.80 CHRNA7 (0.49) CHRNA7GAAMEN1KMT2AHTR3E
SCHEMBL8568312 0.80 CHRNA7 (0.49) CHRNA7GAAMEN1KMT2AHTR3E
SCHEMBL29135438 0.78 CHRNA7 (0.60) CHRNA7GAAMEN1KMT2AHTR3E
SCHEMBL15193256 0.78 CHRNA7 (0.56) CHRNA7GAAMEN1KMT2AHTR3E
SCHEMBL11198799 0.77 BCHE (0.53) CHRNA7LMNA
SCHEMBL792893 0.77 ITGB1 (0.32) TSHR
SCHEMBL31441632 0.77 ITGB1 (0.32) TSHR
Hydrochloric Acid SCHEMBL29135439 0.76 CHRNA7 (0.58) CHRNA7GAAMEN1KMT2AHTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994001401-A1 HERBICIDAL AND INSECTICIDAL 3-BENZOYL-PYRROLIDIN-2,4-DIONE DERIVATES BAYER AKTIENGESELLSCHAFT (DE) 1994-01-20 WO claimed
WO-1994001401-A1 HERBICIDAL AND INSECTICIDAL 3-BENZOYL-PYRROLIDIN-2,4-DIONE DERIVATES BAYER AKTIENGESELLSCHAFT (DE) 1994-01-20 WO disclosed