SCHEMBL6981183

SCHEMBL6981183

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

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.67
CHRM2 P08172 4/20 0.66
CHRM5 P08912 4/20 0.66
CHRM3 P20309 3/20 0.66
CHRM1 P11229 1/20 0.61
DRD2 P14416 1/20 0.61
USP2 O75604 1/20 0.59
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TSHR P16473 1/20 0.54
NOS2 P35228 1/20 0.54
GAA P10253 1/20 0.53
SOS1 Q07889 1/20 0.51

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
SCHEMBL546475 0.86 ALDH1A1 (0.54) KDM4ECHRM2CHRM5CHRM3KMT2A
SCHEMBL8311276 0.84 SOS1 (0.58) KDM4ECHRM2CHRM5CHRM3DRD2
SCHEMBL5368555 0.82 KDM4E (0.70) KDM4ECHRM2CHRM5CHRM3CHRM1
SCHEMBL6980957 0.82 KMT2A (0.63) KDM4ECHRM2CHRM5CHRM3CHRM1
SCHEMBL13930435 0.81 SOS1 (0.52) KDM4ECHRM2CHRM5CHRM3KMT2A
SCHEMBL9699514 0.80 KMT2A (0.70) KDM4ECHRM2CHRM5CHRM3CHRM1
SCHEMBL14198379 0.78 TSHR (0.63) KDM4EKMT2AMEN1ALDH1A1TSHR
SCHEMBL5368551 0.77 KDM4E (0.62) KDM4ECHRM2CHRM5CHRM3CHRM1
SCHEMBL26510682 0.77 SMN1; SMN2 (0.62) KDM4ECHRM2CHRM5CHRM3CHRM1
SCHEMBL17301744 0.76 KMT2A (0.62) KDM4ECHRM2CHRM5CHRM3KMT2A

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
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