SCHEMBL6978433

SCHEMBL6978433

CCOC(=O)N1CCC(N(CCC(c2ccccc2)c2ccccc2)Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
TSHR P16473 1/20 0.49
GAA P10253 1/20 0.48
ALDH1A1 P00352 3/20 0.48
CCR5 P51681 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 2/20 0.45
BRD4 O60885 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM3 P20309 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRL1 P41146 1/20 0.44

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
SCHEMBL8311787 0.86 KMT2A (0.55) MEN1KMT2AALDH1A1CCR5RAB9A
SCHEMBL3645098 0.78 MEN1 (0.56) MEN1KMT2AALDH1A1CCR5SMN1; SMN2
SCHEMBL14286832 0.77 MEN1 (0.51) MEN1KMT2ATSHRGAAALDH1A1
SCHEMBL4497247 0.76 SMN1; SMN2 (0.52) MEN1KMT2ATSHRGAAALDH1A1
SCHEMBL4497249 0.76 SMN1; SMN2 (0.52) MEN1KMT2ATSHRGAAALDH1A1
SCHEMBL6981183 0.76 KDM4E (0.67) MEN1KMT2ATSHRGAAALDH1A1
Hydrochloric Acid SCHEMBL7475605 0.74 L3MBTL1 (0.58) MEN1KMT2ATSHRGAAALDH1A1
SCHEMBL730653 0.73 MEN1 (0.49) MEN1KMT2ATSHRGAAALDH1A1
SCHEMBL9760026 0.73 MEN1 (0.49) MEN1KMT2ATSHRGAAALDH1A1
SCHEMBL16097143 0.73 KMT2A (0.62) MEN1KMT2AALDH1A1RAB9AKDM4E

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