SCHEMBL10669409

SCHEMBL10669409

COc1ccc(CCn2c(C)ccc2CN2C(=O)c3ccccc3C2=O)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 2/20 0.53
NR1H2 P55055 1/20 0.53
LMNA P02545 3/20 0.53
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
HSP90AA1 P07900 1/20 0.49
HTT P42858 2/20 0.48
PDE4B Q07343 1/20 0.47
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 1/20 0.45
PAX8 Q06710 1/20 0.45

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
SCHEMBL8777049 0.82 LMNA (0.72) NR1H3NR1H2LMNAALDH1A1SMN1; SMN2
SCHEMBL4854039 0.79 NR1H3 (0.62) NR1H3NR1H2LMNAALDH1A1HTT
SCHEMBL10672038 0.77 KDM4E (0.54) LMNAALDH1A1SMN1; SMN2HSP90AA1HTT
SCHEMBL11743353 0.77 ALDH1A1 (0.69) NR1H3NR1H2LMNAALDH1A1HSP90AA1
SCHEMBL9053567 0.75 ALDH1A1 (0.67) NR1H3NR1H2LMNAALDH1A1HSP90AA1
SCHEMBL8828667 0.72 ABCB1 (0.69) NR1H3NR1H2LMNAALDH1A1
SCHEMBL10666590 0.72 HRH1 (0.49) LMNAADRA1AMAPK1MAPT
SCHEMBL10926180 0.72 CASP3 (0.56) HTTADRA1DADRA1AADRA1BMAPK1
SCHEMBL2593843 0.71 ALDH1A1 (0.64) NR1H3NR1H2LMNAALDH1A1HSP90AA1
SCHEMBL10672263 0.71 MAPT (0.55) LMNAALDH1A1HSP90AA1HTTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4785010-A AGING RESISTANCE OF HUMANS CASSELLA AKTIENGESELLSCHAFT (DE) 1988-11-15 US disclosed
EP-0124067-B1 2-(AMINOALKYL)-PYRROLE DERIVATIVES, PROCESS FOR THEIR MANUFACTURE AND THEIR USE CASSELLA Aktiengesellschaft (DE) 1986-12-17 EP disclosed
EP-0124067-A1 2-(Aminoalkyl)-pyrrole derivatives, process for their manufacture and their use CASSELLA Aktiengesellschaft (DE) 1984-11-07 EP disclosed