Sugi Predict

Sugi Predict / Compounds / SCHEMBL4566736

SCHEMBL4566736

SCHEMBL4566736

CN1Cc2ccccc2C(C2(O)C3CC4CC(C3)CC2C4)C1.CN1Cc2ccccc2C(C2(O)CCCC2)C1.CN1Cc2ccccc2C(C2(O)CCCCCC2)C1.COc1ccc2c(c1)CN(C)CC2C1(O)CC2CCC1(C)C2(C)C

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 9/20 0.37
▸ SLC6A2 P23975 6/20 0.37
▸ SLC6A3 Q01959 6/20 0.37
▸ HRH3 Q9Y5N1 3/20 0.30
▸ DRD1 P21728 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
SCHEMBL4316901 0.84 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3HRH3DRD1
SCHEMBL4328832 0.79 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3HRH3DRD1
SCHEMBL4316512 0.77 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4325030 0.73 SLC6A2 (0.46) SLC6A4SLC6A2SLC6A3
SCHEMBL4457705 0.71 MAOA (0.34) SLC6A4
SCHEMBL4323108 0.71 SLC6A2 (0.48) SLC6A4SLC6A2SLC6A3
SCHEMBL4458919 0.71 SLC6A2 (0.48) SLC6A4SLC6A2SLC6A3
SCHEMBL4461630 0.70 SLC6A2 (0.49) SLC6A4SLC6A2SLC6A3
SCHEMBL4451508 0.69 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4321880 0.68 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3HRH3

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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