SCHEMBL4331753

SCHEMBL4331753

CN1Cc2cc(OC3CCCC3)ccc2C(C2(O)CCCCC2)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ NR3C1 P04150 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SLC6A4 P31645 11/20 0.38
▸ SLC6A2 P23975 5/20 0.38
▸ SLC6A3 Q01959 5/20 0.38
▸ PDK2 Q15119 2/20 0.36
▸ HRH3 Q9Y5N1 7/20 0.35
▸ ACACB O00763 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33

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
SCHEMBL4316512 0.86 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4327372 0.84 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3PDK2HRH3
SCHEMBL4323128 0.83 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4316957 0.83 SLC6A4 (0.39) MAPTSLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4451508 0.82 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4338664 0.81 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4326089 0.81 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4321649 0.80 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4325036 0.79 SLC6A2 (0.50) SLC6A4SLC6A2SLC6A3
SCHEMBL4468394 0.79 SLC6A4 (0.41) 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 disclosed
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