SCHEMBL4329576

SCHEMBL4329576

CN1Cc2cc(OCCN3CCOCC3)ccc2C(C2(O)CCCCC2)C1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 17/20 0.55
▸ HRH3 Q9Y5N1 17/20 0.55
▸ SLC6A2 P23975 1/20 0.52
▸ SLC6A3 Q01959 1/20 0.52
▸ NPC1 O15118 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44

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
SCHEMBL4460205 0.95 HRH3 (0.61) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL4462029 0.92 SLC6A4 (0.50) SLC6A4HRH3
SCHEMBL4462683 0.92 HRH3 (0.55) SLC6A4HRH3
SCHEMBL4329182 0.89 SLC6A4 (0.47) SLC6A4HRH3
SCHEMBL4466983 0.88 HRH3 (0.46) SLC6A4HRH3
SCHEMBL4338664 0.85 SLC6A4 (0.48) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL4326089 0.85 SLC6A4 (0.45) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL4475719 0.84 FKBP1A (0.49) NPC1KDM4EALDH1A1
SCHEMBL4321649 0.84 SLC6A4 (0.47) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL4472671 0.83 HRH3 (0.52) SLC6A4HRH3

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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