SCHEMBL7861599

SCHEMBL7861599

CCN(CC)C(C)OC([NH])=O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
KCNH2 Q12809 1/20 0.33
FDPS P14324 1/20 0.33
MAPT P10636 1/20 0.31

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
SCHEMBL4411573 0.79 PGR (0.38) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL609709 0.79 TSHR (0.46) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL11856683 0.77 MEN1 (0.35) PGRADRA2AADRA2BHTR2AHRH1
Hydrochloric Acid SCHEMBL28375443 0.77 TSHR (0.44) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL11749635 0.77 LMNA (0.42) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL28664167 0.77 PGR (0.33) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL358238 0.74 LMNA (0.52) MAPT
SCHEMBL11867821 0.74 ALDH1A1 (0.44) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL6979242 0.72 MEN1 (0.31)
SCHEMBL14873 0.72 TSHR (0.44) PGRADRA2AADRA2BHTR2AHRH1

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
EP-0418099-B1 Process of preparation of 10, 11-Methylenedioxy-20 (RS) camptothecin and 10, 11-methylenedioxy-20 (S) - camptothecin analog RES TRIANGLE INST (US) 2001-12-19 EP disclosed
US-5340817-A Method of treating tumors with anti-tumor effective camptothecin compounds RESEARCH TRIANGLE INSTITUTE (US) 1994-08-23 US disclosed
US-5180722-A Topisomerase Inhibitors, Anticarcinogenic Agents RESEARCH TRIANGLE INSTITUTE (US) 1993-01-19 US disclosed
US-5049668-A 10,11-methylenedioxy-20(RS)-camptothecin analogs RESEARCH TRIANGLE INSTITUTE (US) 1991-09-17 US disclosed
EP-0418099-A2 10, 11-Methylenedioxy-20 (RS) camptothecin and 10, 11-methylenedioxy-20 (S) - camptothecin analog RESEARCH TRIANGLE INSTITUTE (US) 1991-03-20 EP disclosed