SCHEMBL5685302

SCHEMBL5685302

Cc1cc(NC(=O)C(C)(O)COc2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-].Cc1cc(NC(=O)C(C)(O)COc2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.58
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL12707473 1.00 AR (0.58) ARCYP2D6CYP2C9CYP2C19
SCHEMBL2766530 1.00 AR (0.58) ARCYP2D6CYP2C9CYP2C19
SCHEMBL2767366 0.94 AR (0.58) ARCYP2D6CYP2C9CYP2C19
SCHEMBL2765748 0.91 AR (0.60) ARCYP2D6CYP2C9CYP2C19
SCHEMBL12707432 0.91 AR (0.61) ARCYP2D6CYP2C9CYP2C19
SCHEMBL12707469 0.91 AR (0.60) ARCYP2D6CYP2C9CYP2C19
SCHEMBL12706728 0.90 AR (0.63) AR
SCHEMBL2767876 0.90 AR (0.63) AR
SCHEMBL2766992 0.89 AR (0.58) ARCYP2D6CYP2C9CYP2C19
SCHEMBL2767715 0.88 AR (0.57) AR

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-1641745-A1 PROPIONAMIDE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS Orion Corporation (FI) 2006-04-05 EP disclosed
WO-2005000794-A1 PROPIONAMIDE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS ORION CORPORATION (FI) 2005-01-06 WO disclosed