SCHEMBL4323062

SCHEMBL4323062

COc1ccc2c(c1)CN(C)CC2C(CO)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 13/20 0.53
▸ SLC6A2 P23975 6/20 0.53
▸ SLC6A3 Q01959 6/20 0.53
▸ HTR1A P08908 1/20 0.42
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42
▸ DRD1 P21728 1/20 0.40
▸ DRD5 P21918 1/20 0.40
▸ HRH3 Q9Y5N1 7/20 0.40
▸ MTNR1B P49286 1/20 0.40

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
SCHEMBL4319951 0.79 CYP3A4 (0.46) SLC6A4SLC6A2SLC6A3MTNR1B
SCHEMBL4323059 0.79 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3HTR1AGRIN1
SCHEMBL18034964 0.70 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3GRIN1GRIN2B
SCHEMBL11638679 0.70 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4326074 0.69 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4457606 0.69 SLC6A4 (0.81) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4463258 0.68 SLC6A4 (0.79) SLC6A4SLC6A2SLC6A3DRD1HRH3
SCHEMBL4333714 0.68 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3GRIN1GRIN2B
SCHEMBL12363815 0.67 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3DRD1DRD5
SCHEMBL29843344 0.67 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3DRD1DRD5

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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