SCHEMBL1378638

SCHEMBL1378638

C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)CC1CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
AR P10275 2/20 0.42
MAPT P10636 1/20 0.42
IDO1 P14902 1/20 0.42
CNR2 P34972 1/20 0.41
ROCK2 O75116 1/20 0.40

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
SCHEMBL1380671 0.80 RORC (0.49) RORCALDH1A1LMNAGAAAR
SCHEMBL13326491 0.76 PGR (0.50) RORC
SCHEMBL14319106 0.74 IDO1 (0.49) RORCALDH1A1LMNAGAAAR
SCHEMBL18677414 0.74 IDO1 (0.49) RORCALDH1A1LMNAGAAAR
SCHEMBL13326492 0.72 PGR (0.48)
SCHEMBL1378941 0.72 RORC (0.52) RORCALDH1A1LMNAGAAAR
SCHEMBL22195116 0.72 IDO1 (0.47) RORCALDH1A1LMNAGAAAR
SCHEMBL13818571 0.72 IDO1 (0.47) RORCALDH1A1LMNAGAAAR
SCHEMBL1377609 0.72 PGR (0.52)
SCHEMBL1377611 0.72 PGR (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4805909-B2 2011-11-02 JP claimed
EP-1725522-A1 ANILINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-29 EP claimed
WO-2005085185-A1 ANILINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-15 WO claimed
EP-1725522-A1 ANILINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-29 EP disclosed
WO-2005085185-A1 ANILINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-15 WO disclosed