SCHEMBL6980957

SCHEMBL6980957

CCOC(=O)N1CCC(NC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
KDM4E B2RXH2 3/20 0.59
TSHR P16473 1/20 0.59
NOS2 P35228 1/20 0.58
CHRM2 P08172 2/20 0.58
CHRM5 P08912 2/20 0.58
CHRM3 P20309 1/20 0.58
GAA P10253 1/20 0.58
MGLL Q99685 1/20 0.56
CHRM1 P11229 1/20 0.54
DRD2 P14416 1/20 0.54
ALDH1A1 P00352 1/20 0.53
BRD4 O60885 1/20 0.53
THRB P10828 1/20 0.52
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL6981183 0.82 KDM4E (0.67) KMT2AMEN1KDM4ETSHRNOS2
SCHEMBL14198379 0.82 TSHR (0.63) KMT2AMEN1KDM4ETSHRGAA
SCHEMBL17301744 0.80 KMT2A (0.62) KMT2AMEN1KDM4ETSHRNOS2
SCHEMBL17301747 0.80 KMT2A (0.62) KMT2AMEN1KDM4ETSHRNOS2
SCHEMBL9699514 0.78 KMT2A (0.70) KMT2AMEN1KDM4ENOS2CHRM2
SCHEMBL4255064 0.78 TSHR (0.59) KMT2AMEN1KDM4ETSHRCHRM2
SCHEMBL10043041 0.77 KMT2A (1.00) KMT2AMEN1KDM4ETSHRNOS2
SCHEMBL7976436 0.77 TSHR (0.58) KMT2AMEN1KDM4ETSHRNOS2
SCHEMBL5368555 0.76 KDM4E (0.70) KMT2AMEN1KDM4ENOS2CHRM2
SCHEMBL20618720 0.76 TSHR (0.60) KMT2AMEN1KDM4ETSHRNOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923575-B1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-03-12 EP disclosed
US-6172085-B1 CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed
EP-0923575-A1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS Takeda Chemical Industries, Ltd. (JP) 1999-06-23 EP disclosed
WO-1998008842-A1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-05 WO disclosed