SCHEMBL4331669

SCHEMBL4331669

COc1ccc2c(c1)CN(C)CC2C1(O)CCN(C(=O)O)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 14/20 0.49
▸ SLC6A2 P23975 6/20 0.49
▸ SLC6A3 Q01959 6/20 0.49
▸ HRH3 Q9Y5N1 8/20 0.43
▸ RYR2 Q92736 1/20 0.39
▸ KIF11 P52732 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL4455516 0.87 STS (0.46) SLC6A4SLC6A2SLC6A3HRH3ALDH1A1
SCHEMBL4316512 0.84 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4328719 0.83 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4459508 0.82 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4338598 0.82 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4316588 0.76 KMT2A (0.43) SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL4321880 0.74 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4316957 0.74 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3HRH3ALDH1A1
SCHEMBL4451508 0.73 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4326421 0.72 SLC6A4 (0.40) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009118765-A2 NOVEL MONOAMINE RE-UPTAKE INHIBITOR PANACEA BIOTEC LIMITED (GB) 2009-10-01 — — WO claimed
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