SCHEMBL6984910

SCHEMBL6984910

CC1=C(C)C2=C(N)C(C)(CCN3CCC(COC(c4ccccc4)c4ccccc4)CC3)CC2=C(C)O1

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
SCHEMBL6976601 0.91 KCNA3 (0.41) KCNA3
SCHEMBL6979555 0.87 CHRM2 (0.44) SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL6984801 0.80 SMN1; SMN2 (0.43) SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL6985676 0.78 SMN1; SMN2 (0.42) SLC6A4SLC6A3SLC6A2
SCHEMBL6983932 0.78 CHRM2 (0.43) SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL6985053 0.78 SMN1; SMN2 (0.41) SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL6983999 0.77 SMN1; SMN2 (0.41) SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL6985438 0.77 SMN1; SMN2 (0.41) SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL6984864 0.75 OPRL1 (0.38) KCNA3
Hydrochloric Acid SCHEMBL6982807 0.74 SIGMAR1 (0.42) 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