SCHEMBL4316001

SCHEMBL4316001

CN1Cc2ccccc2C(C2(O)CCCc3ccccc32)C1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 5/20 0.43
▸ SLC6A4 P31645 5/20 0.43
▸ SLC6A3 Q01959 5/20 0.43
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ DRD1 P21728 1/20 0.38
▸ DRD5 P21918 1/20 0.38
▸ KDM1A O60341 1/20 0.37

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
SCHEMBL4323244 0.85 DRD1 (0.50) SLC6A2SLC6A4SLC6A3DRD1DRD5
SCHEMBL4318796 0.85 DRD1 (0.50) SLC6A2SLC6A4SLC6A3DRD1DRD5
SCHEMBL4461630 0.78 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL4458919 0.77 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL4323108 0.77 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL4333706 0.74 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL4460770 0.72 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL4457874 0.72 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL4456475 0.72 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL4472380 0.72 SLC6A2 (0.43) 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 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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