SCHEMBL9635246

SCHEMBL9635246

COc1ccc(CN2CC3CN(C(C)C)CC(C2)C3=O)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 6/20 0.49
MEN1 O00255 3/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
SIGMAR1 Q99720 1/20 0.48
ALDH1A1 P00352 2/20 0.46
FAAH O00519 1/20 0.44
S1PR1 P21453 1/20 0.43
S1PR5 Q9H228 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL9636642 0.83 KDM4E (0.56) KDM4EMAPTKMT2AMEN1TP53
SCHEMBL9635245 0.78 POLB (0.43) KDM4EKMT2AMEN1SIGMAR1ALDH1A1
SCHEMBL9265205 0.76 TACR1 (0.47) KDM4EMAPTKMT2AMEN1SIGMAR1
SCHEMBL2921022 0.75 SIGMAR1 (0.58) KDM4EMAPTKMT2AMEN1TP53
SCHEMBL2923132 0.75 SIGMAR1 (0.58) KDM4EMAPTKMT2AMEN1TP53
SCHEMBL17294949 0.74 SIGMAR1 (0.56) KDM4EMAPTKMT2AMEN1TP53
Hydrochloric Acid SCHEMBL3104704 0.74 SIGMAR1 (0.56) KDM4EMAPTKMT2AMEN1TP53
SCHEMBL17304776 0.74 SIGMAR1 (0.56) KDM4EMAPTKMT2AMEN1TP53
SCHEMBL2917808 0.73 SIGMAR1 (0.52) KDM4EMAPTKMT2AMEN1TP53
SCHEMBL1600111 0.72 KMT2A (0.65) KDM4EKMT2AMEN1TP53MAPK1

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-5110933-A Salts of 3-azabicyclo[3.3.1]nonanes as antiarrhythmic agents, and precursors thereof BOARD OF REGENTS OF OKLAHOMA STATE UNIVERSITY (US) 1992-05-05 US disclosed
US-5084572-A Cardiovascular disorders BOARD OF REGENTS OF OKLAHOMA STATE UNIVERSITY (US) 1992-01-28 US disclosed
WO-1991007405-A1 SALTS OF 3-AZABICYCLO[3.3.1]NONANES AS ANTIARRHYTHMIC AGENTS, AND PRECURSORS THEREOF THE BOARD OF REGENTS OF OKLAHOMA STATE UNIVERSITY (US) 1991-05-30 WO disclosed