SCHEMBL7420080

SCHEMBL7420080

CS(=O)(=O)N1CC(C(=O)CCc2ccc(Br)cc2)C(c2cccc(C#N)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
FFAR4 Q5NUL3 1/20 0.35
DRD2 P14416 6/20 0.35
DRD3 P35462 6/20 0.35
ALDH1A1 P00352 1/20 0.35
MCHR1 Q99705 2/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
NPY5R Q15761 1/20 0.34
ADAM17 P78536 1/20 0.33
HCRTR2 O43614 1/20 0.33
USP30 Q70CQ3 1/20 0.33
POLB P06746 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
SCHEMBL6985912 0.91 HRH3 (0.39) HRH3DRD2DRD3ALDH1A1CYP3A4
SCHEMBL6985908 0.91 HRH3 (0.39) HRH3DRD2DRD3ALDH1A1CYP3A4
SCHEMBL6985904 0.91 HRH3 (0.39) HRH3DRD2DRD3ALDH1A1CYP3A4
SCHEMBL7420077 0.80 HRH3 (0.38) HRH3DRD2DRD3ALDH1A1MCHR1
SCHEMBL6985586 0.80 HRH3 (0.45) HRH3DRD2DRD3ALDH1A1CYP3A4
SCHEMBL6985380 0.80 HRH3 (0.45) HRH3DRD2DRD3ALDH1A1CYP3A4
SCHEMBL6985582 0.80 HRH3 (0.45) HRH3DRD2DRD3ALDH1A1CYP3A4
SCHEMBL6984332 0.77 HRH3 (0.43) HRH3DRD2DRD3ALDH1A1CYP3A4
SCHEMBL6984339 0.77 HRH3 (0.43) HRH3DRD2DRD3ALDH1A1CYP3A4
SCHEMBL6984336 0.77 HRH3 (0.43) HRH3DRD2DRD3ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934265-A1 AMIDINOPHENYL-PYRROLIDINES, -PYRROLINES, AND -ISOXAZOLIDINES AND DERIVATIVES THEREOF Du Pont Pharmaceuticals Company (US) 1999-08-11 EP disclosed
WO-1998006694-A1 AMIDINOPHENYL-PYRROLIDINES, -PYRROLINES, AND -ISOXAZOLIDINES AND DERIVATIVES THEREOF DU PONT PHARMACEUTICALS COMPANY (US) 1998-02-19 WO disclosed