Sugi Predict

Sugi Predict / Compounds / SCHEMBL7380676

SCHEMBL7380676

SCHEMBL7380676

Nc1ccccc1OC(c1ccncc1)C1CCNCC1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 11/20 0.66
▸ SLC6A2 P23975 10/20 0.66
▸ SLC6A3 Q01959 4/20 0.66
▸ KCNH2 Q12809 1/20 0.53

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
SCHEMBL7377258 0.78 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3
SCHEMBL14962113 0.72 SLC6A2 (0.77) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL14962110 0.72 SLC6A2 (0.84) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL3890512 0.72 SLC6A2 (0.77) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL3895159 0.72 SLC6A2 (0.84) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL12064517 0.72 SLC6A2 (0.84) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL635189 0.71 SLC6A4 (0.78) SLC6A4SLC6A2SLC6A3
SCHEMBL635188 0.71 SLC6A4 (0.78) SLC6A4SLC6A2SLC6A3
SCHEMBL635187 0.71 SLC6A4 (0.78) SLC6A4SLC6A2SLC6A3
SCHEMBL3895214 0.70 SLC6A2 (1.00) SLC6A4SLC6A2SLC6A3KCNH2

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-0880502-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1998-12-02 — — EP disclosed
WO-1997028129-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1997-08-07 — — WO disclosed