SCHEMBL7377258

SCHEMBL7377258

Nc1ccc(OC(c2ccncc2)C2CCNCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.55
SLC6A2 P23975 5/20 0.55
SLC6A3 Q01959 3/20 0.55

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
SCHEMBL7380676 0.78 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3
SCHEMBL3893345 0.75
SCHEMBL1674240 0.74 SLC6A2 (0.40) SLC6A4SLC6A2SLC6A3
SCHEMBL3895104 0.74 SLC6A2 (0.67) SLC6A4SLC6A2SLC6A3
SCHEMBL3892139 0.72 SLC6A2 (0.64) SLC6A4SLC6A2SLC6A3
SCHEMBL10786619 0.72 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3
SCHEMBL3891744 0.71 SLC6A2 (0.63) SLC6A4SLC6A2SLC6A3
SCHEMBL3895589 0.71 SLC6A2 (0.63) SLC6A4SLC6A2SLC6A3
SCHEMBL3893149 0.71
SCHEMBL12156358 0.71 SLC6A2 (0.63) SLC6A4SLC6A2SLC6A3

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