SCHEMBL9809723

SCHEMBL9809723

COc1cc(O)c(C(=O)NCCCN(C)CCc2ccccc2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
APP P05067 10/20 0.65
SIGMAR1 Q99720 3/20 0.56
TMEM97 Q5BJF2 1/20 0.56
SLC6A5 Q9Y345 1/20 0.51
OPRK1 P41145 1/20 0.50

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
SCHEMBL9809657 0.83 OPRM1 (0.61) APPSIGMAR1TMEM97OPRK1
SCHEMBL9809660 0.79 OPRM1 (0.54) APPSIGMAR1TMEM97OPRK1
SCHEMBL9809664 0.79 MAPT (0.54) APPSIGMAR1TMEM97OPRK1
SCHEMBL9809684 0.79 MAPT (0.54) APPSIGMAR1TMEM97OPRK1
SCHEMBL9809676 0.79 OPRM1 (0.58) APPSIGMAR1TMEM97OPRK1
SCHEMBL9809729 0.79 ALDH1A1 (0.61) APPSIGMAR1TMEM97OPRK1
SCHEMBL9809635 0.79 GAA (0.53) APPSIGMAR1TMEM97OPRK1
SCHEMBL9809681 0.77 OPRM1 (0.56) APPSIGMAR1TMEM97OPRK1
SCHEMBL28844172 0.76 SIGMAR1 (0.67) APPSIGMAR1TMEM97OPRK1
SCHEMBL8980565 0.74 KDM4E (0.56) APP

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
US-5071850-A Cardiovascular disorders PIERRE FABRE MEDICAMENT (FR) 1991-12-10 US disclosed