SCHEMBL6986388

SCHEMBL6986388

Cc1c(C)c2c(c(C)c1N)CC(C)(CN1CCC(CCNC(c3ccccc3)c3ccccc3)CC1)O2

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
ACHE P22303 2/20 0.36
MAOB P27338 1/20 0.36
BCHE P06276 1/20 0.31
CARM1 Q86X55 1/20 0.30
PRMT6 Q96LA8 1/20 0.30

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
Hydrochloric Acid SCHEMBL6982769 0.99 SLC6A4 (0.44) SLC6A4SLC6A3ACHEMAOBBCHE
SCHEMBL6983530 0.91 SLC6A4 (0.34) SLC6A4SLC6A3ACHEMAOB
Hydrochloric Acid SCHEMBL6980763 0.90 SLC6A4 (0.33) SLC6A4SLC6A3ACHEMAOB
SCHEMBL6983768 0.88 ACHE (0.35) SLC6A4SLC6A3ACHEMAOBBCHE
Hydrochloric Acid SCHEMBL6976629 0.87 ACHE (0.35) SLC6A4SLC6A3ACHEMAOBBCHE
SCHEMBL6979532 0.86 SLC6A4 (0.42) SLC6A4SLC6A3ACHEMAOB
SCHEMBL6976347 0.85 CHRM1 (0.32) SLC6A4
SCHEMBL6980124 0.85 CHRM1 (0.32) SLC6A4
SCHEMBL6983686 0.85 CHRM1 (0.32) SLC6A4
Hydrochloric Acid SCHEMBL6980788 0.84 CHRM1 (0.31) SLC6A4

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