SCHEMBL6984905

SCHEMBL6984905

Cc1c(C)c2c(c(C)c1N)CC(C)(CCN1CCC(COC(c3ccccc3)c3ccccc3)CC1)O2

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.44
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
SLC6A2 P23975 2/20 0.35

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
SCHEMBL6976596 0.91 KCNA3 (0.41) KCNA3
Oxalic Acid SCHEMBL6984301 0.88 SLC6A4 (0.53) SLC6A4SLC6A3SLC6A2
SCHEMBL6979549 0.87 CHRM2 (0.44) SLC6A4SLC6A3SLC6A2
Oxalic Acid SCHEMBL6977629 0.87 SLC6A4 (0.39) KCNA3SLC6A4SLC6A3SLC6A2
SCHEMBL6985715 0.86 KCNA3 (0.42) KCNA3SLC6A4SLC6A3SLC6A2
Oxalic Acid SCHEMBL6983672 0.83 BCHE (0.43) SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL6984798 0.80 SMN1; SMN2 (0.43) SLC6A4SLC6A3SLC6A2
Oxalic Acid SCHEMBL6984815 0.79 SLC6A4 (0.50) SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL6985673 0.78 SMN1; SMN2 (0.42) SLC6A4SLC6A3SLC6A2
SCHEMBL6985682 0.78 SLC6A4 (0.49) SLC6A4SLC6A3SLC6A2

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