SCHEMBL21048485

SCHEMBL21048485

COC(=O)C(CN)OC(=O)CCc1cnc[nH]1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 2/20 0.46
QPCT Q16769 1/20 0.45
QPCTL Q9NXS2 1/20 0.45
HRH3 Q9Y5N1 7/20 0.44
HRH4 Q9H3N8 2/20 0.44
MIF P14174 1/20 0.43
HRH2 P25021 1/20 0.43
HRH1 P35367 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
SCHEMBL6932429 0.80 QPCT (0.57) TSHRCYP3A4CYP2D6CYP2C19LMNA
SCHEMBL27303234 0.75 HRH3 (0.50) QPCTQPCTLHRH3HRH4
SCHEMBL7598349 0.73 CYP3A4 (0.50) CYP3A4LMNAQPCTQPCTLHRH3
SCHEMBL5966684 0.72 HRH3 (0.53) HRH3HRH4
SCHEMBL3846866 0.71 CYP3A4 (0.67) CYP3A4LMNAHRH3HRH4
SCHEMBL1581156 0.71 CYP3A4 (0.67) CYP3A4LMNAHRH3HRH4
SCHEMBL4425225 0.71 CYP3A4 (0.50) TSHRCYP3A4LMNAQPCTQPCTL
SCHEMBL262239 0.71 CYP3A4 (0.67) CYP3A4LMNAHRH3HRH4
SCHEMBL22392203 0.70 HRH3 (0.45) TSHRCYP3A4CYP2D6CYP2C19QPCT
Hydrochloric Acid SCHEMBL7321531 0.70 CYP3A4 (0.65) CYP3A4LMNAHRH3HRH4

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
EP-2257587-B1 POLYMER DERIVED FROM LINEAR POLYETHYLENIMINE FOR GENE TRANSFER CENTRE NAT RECH SCIENT (FR) 2019-06-12 EP disclosed