SCHEMBL9005773

SCHEMBL9005773

NC1CCCc2cc(S(=O)(=O)C(F)(F)F)ccc21

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
HTR6 P50406 18/20 0.43

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
SCHEMBL14336037 0.82 CA1 (0.57) HTR6
SCHEMBL7787639 0.81 CA12 (0.51) HTR6
SCHEMBL2629485 0.79 DRD2 (0.43) HTR6
SCHEMBL3539919 0.79 DRD2 (0.43) HTR6
SCHEMBL31137516 0.74 CYP11B1 (0.51)
SCHEMBL15335678 0.74 CYP11B1 (0.51)
SCHEMBL15335680 0.74 CYP11B1 (0.51)
SCHEMBL8253450 0.72 CA1 (0.57) HTR6
SCHEMBL8253472 0.72 CA1 (0.57) HTR6
SCHEMBL18289385 0.72 KDM1A (0.42) HTR6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579223-B1 Carboxylic acid derivatives having 5 alpha-reductase inhibitory activity MITSUBISHI CHEM CORP (JP) 1996-10-09 EP disclosed
US-5385917-A Treating androgen dependent diseases MITSUBISHI KASEI CORPORATION (JP) 1995-01-31 US disclosed
EP-0579223-A1 Carboxylic acid derivatives having 5 alpha-reductase inhibitory activity Mitsubishi Chemical Corporation (JP) 1994-01-19 EP disclosed