SCHEMBL4057609

SCHEMBL4057609

CN1C=CC=C(c2ccc(OC(CC3CC3)C3CCNCC3)cc2)N1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 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
SCHEMBL1376346 0.72 HRH3 (0.61) SLC6A2SLC6A4
SCHEMBL4293394 0.58 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL27561717 0.57 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3
SCHEMBL7956504 0.57 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL10585513 0.56 NFE2L2 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL14999422 0.55 TSHR (0.54)
SCHEMBL11353406 0.55 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3
SCHEMBL2944395 0.54 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3
SCHEMBL935708 0.54 SLC6A4 (0.58) SLC6A2SLC6A4SLC6A3
SCHEMBL1061309 0.54 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3

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-2069312-A2 PYRIDIZINONE DERIVATIVES Cephalon, Inc. (US) 2009-06-17 EP claimed
WO-2008013838-A2 PYRIDIZINONE DERIVATIVES CEPHALON, INC. (US) 2008-01-31 WO claimed