SCHEMBL1378741

SCHEMBL1378741

NC(=O)CN(CC1CC1)CC1CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.52
TDP1 Q9NUW8 1/20 0.38
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
PLG P00747 1/20 0.32
PLAT P00750 1/20 0.32
LMNA P02545 1/20 0.32
OPRM1 P35372 2/20 0.30
OPRD1 P41143 2/20 0.30
OPRK1 P41145 2/20 0.30

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
SCHEMBL3618603 0.84 ALOX5 (0.42) ALOX5
SCHEMBL21242212 0.73 TDP1 (0.48) ALOX5TDP1PLGPLATLMNA
SCHEMBL25486085 0.73 ALOX5 (0.45) ALOX5OPRM1OPRD1OPRK1
SCHEMBL3749558 0.73 TDP1 (0.41) TDP1LMNA
SCHEMBL21582620 0.71 ALOX5 (0.48) ALOX5TDP1LMNAOPRM1OPRD1
SCHEMBL15342482 0.70 ALOX5 (0.41) ALOX5TDP1DDB1CRBNOPRM1
SCHEMBL29137898 0.70 TDP1 (0.39) TDP1LMNA
Hydrochloric Acid SCHEMBL5872402 0.70 TDP1 (0.39) TDP1LMNA
SCHEMBL21224643 0.70 ALOX5 (0.45) ALOX5
SCHEMBL1627877 0.68

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
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