SCHEMBL10033191

SCHEMBL10033191

C=C(O)C[C@@H]1CC[C@@H](N(CCC2CCCCC2)C2CCC(CCC)(CCC)CC2)[C@H](c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL10032826 0.90
SCHEMBL1709422 0.89 SLC6A4 (0.33) SLC6A4SLC6A3
SCHEMBL1709501 0.89 SLC6A4 (0.31) SLC6A4SLC6A3
SCHEMBL1709364 0.88 HTR2C (0.33) SLC6A4SLC6A3
SCHEMBL1709499 0.88 HTR2C (0.33) SLC6A4SLC6A3
SCHEMBL1709500 0.88 HTR2C (0.33) SLC6A4SLC6A3
SCHEMBL1709402 0.82 HTR2C (0.34) SLC6A4SLC6A3
SCHEMBL10032822 0.79 HTR2C (0.33)
SCHEMBL1709450 0.79 HTR2C (0.33)
SCHEMBL10033004 0.78 PSEN1 (0.36) SLC6A4SLC6A3

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-2012046771-A1 CYCLOALKANE COMPOUND アステラス製薬株式会社 (JP) 2012-04-12 WO disclosed