SCHEMBL4323244

SCHEMBL4323244

COc1ccc2c(c1)CN(C)CC2C1(O)CCCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 8/20 0.50
▸ SLC6A2 P23975 4/20 0.50
▸ SLC6A4 P31645 4/20 0.50
▸ SLC6A3 Q01959 4/20 0.50
▸ DRD5 P21918 7/20 0.47
▸ DRD2 P14416 6/20 0.47
▸ DRD3 P35462 6/20 0.47
▸ DRD4 P21917 5/20 0.47
▸ SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL4318796 0.92 DRD1 (0.50) DRD1SLC6A2SLC6A4SLC6A3DRD5
SCHEMBL4316001 0.85 SLC6A2 (0.43) DRD1SLC6A2SLC6A4SLC6A3DRD5
SCHEMBL4316512 0.78 SLC6A4 (0.52) SLC6A2SLC6A4SLC6A3
SCHEMBL4328719 0.75 SLC6A4 (0.49) DRD1SLC6A2SLC6A4SLC6A3DRD5
SCHEMBL4459508 0.73 SLC6A4 (0.50) SLC6A2SLC6A4SLC6A3
SCHEMBL4338598 0.73 SLC6A4 (0.50) SLC6A2SLC6A4SLC6A3
SCHEMBL4316901 0.71 SLC6A4 (0.45) DRD1SLC6A2SLC6A4SLC6A3DRD5
SCHEMBL9325693 0.70 SIGMAR1 (0.46) DRD1DRD5DRD2DRD3DRD4
SCHEMBL4331669 0.70 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3
SCHEMBL18034964 0.70 SLC6A4 (0.63) DRD1SLC6A2SLC6A4SLC6A3DRD5

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 disclosed
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