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Sugi Predict / Compounds / SCHEMBL6979532

SCHEMBL6979532

SCHEMBL6979532

Cc1c(C)c2c(c(C)c1NC(=O)O)CC(C)(CN1CCC(CCNC(c3ccccc3)c3ccccc3)CC1)O2

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 2/20 0.42
▸ SLC6A3 Q01959 2/20 0.42
▸ ACHE P22303 2/20 0.39
▸ MAOB P27338 1/20 0.39
▸ CHRM4 P08173 1/20 0.32

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
SCHEMBL6980736 0.89 ACHE (0.38) ACHEMAOB
SCHEMBL6986388 0.86 SLC6A4 (0.45) SLC6A4SLC6A3ACHEMAOB
Hydrochloric Acid SCHEMBL6982769 0.85 SLC6A4 (0.44) SLC6A4SLC6A3ACHEMAOB
SCHEMBL6982741 0.84 ACHE (0.35) ACHEMAOB
SCHEMBL6985682 0.79 SLC6A4 (0.49) SLC6A4SLC6A3
SCHEMBL6983530 0.77 SLC6A4 (0.34) SLC6A4SLC6A3ACHEMAOB
SCHEMBL6985715 0.77 KCNA3 (0.42) SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL6980763 0.77 SLC6A4 (0.33) SLC6A4SLC6A3ACHEMAOB
SCHEMBL6980360 0.76 SLC18A3 (0.40) —
SCHEMBL6983768 0.75 ACHE (0.35) SLC6A4SLC6A3ACHEMAOB

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