Sugi Predict

Sugi Predict / Compounds / SCHEMBL8307640

SCHEMBL8307640

SCHEMBL8307640

Cc1c(C)c(N(C(=O)O)C(C)(C)C)c(C)c2c1OC(C)(CCN1CCC(CCOC(c3ccccc3)c3ccccc3)CC1)C2

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 8/20 0.46
▸ SLC6A3 Q01959 8/20 0.46
▸ SLC6A2 P23975 7/20 0.46

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
SCHEMBL6985682 0.85 SLC6A4 (0.49) SLC6A4SLC6A3SLC6A2
Oxalic Acid SCHEMBL6984301 0.85 SLC6A4 (0.53) SLC6A4SLC6A3SLC6A2
SCHEMBL6985715 0.77 KCNA3 (0.42) SLC6A4SLC6A3SLC6A2
Oxalic Acid SCHEMBL6984815 0.77 SLC6A4 (0.50) SLC6A4SLC6A3SLC6A2
SCHEMBL6984905 0.75 KCNA3 (0.44) SLC6A4SLC6A3SLC6A2
Oxalic Acid SCHEMBL6980816 0.72 SLC6A4 (0.45) SLC6A4SLC6A3SLC6A2
SCHEMBL6978428 0.72 BCHE (0.44) SLC6A4SLC6A3SLC6A2
Oxalic Acid SCHEMBL6983672 0.72 BCHE (0.43) SLC6A4SLC6A3SLC6A2
SCHEMBL6979549 0.70 CHRM2 (0.44) SLC6A4SLC6A3SLC6A2
Oxalic Acid SCHEMBL6977629 0.68 SLC6A4 (0.39) 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-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