SCHEMBL9636642

SCHEMBL9636642

COc1ccc(CN2CC3CC(C2)CN(C(C)C)C3)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
MAPT P10636 1/20 0.56
SIGMAR1 Q99720 1/20 0.49
KMT2A Q03164 4/20 0.48
TP53 P04637 2/20 0.47
MEN1 O00255 2/20 0.47
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.42
DRD4 P21917 1/20 0.42
FAAH O00519 1/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 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
SCHEMBL9635246 0.83 KDM4E (0.52) KDM4EMAPTSIGMAR1KMT2ATP53
SCHEMBL9636794 0.77 CXCR3 (0.43) KDM4EMAPTSIGMAR1KMT2AMEN1
SCHEMBL17294949 0.77 SIGMAR1 (0.56) KDM4EMAPTSIGMAR1KMT2ATP53
SCHEMBL17304776 0.77 SIGMAR1 (0.56) KDM4EMAPTSIGMAR1KMT2ATP53
SCHEMBL9269370 0.76 KMT2A (0.48) KDM4ESIGMAR1KMT2AMEN1ALDH1A1
SCHEMBL2923132 0.76 SIGMAR1 (0.58) KDM4EMAPTSIGMAR1KMT2ATP53
SCHEMBL2921022 0.76 SIGMAR1 (0.58) KDM4EMAPTSIGMAR1KMT2ATP53
Hydrochloric Acid SCHEMBL3104704 0.75 SIGMAR1 (0.56) KDM4EMAPTSIGMAR1KMT2ATP53
SCHEMBL1600111 0.73 KMT2A (0.65) KDM4ESIGMAR1KMT2ATP53MEN1
SCHEMBL9636641 0.73 TLR9 (0.53) MAPTTP53MAPK1L3MBTL1LMNA

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 2 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