SCHEMBL3354292

SCHEMBL3354292

COCCC1CCCCN1C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.54
ACE2 Q9BYF1 3/20 0.53
FKBP1A P62942 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
TP53 P04637 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL14646665 0.88 TMEM97 (0.56) PREPACE2FKBP1ANPSR1TMEM97
SCHEMBL19621551 0.88 TMEM97 (0.56) PREPACE2FKBP1ANPSR1TMEM97
SCHEMBL791439 0.86 PREP (0.57) PREPACE2NPSR1ALDH1A1TP53
SCHEMBL13994810 0.86 PREP (0.57) PREPACE2NPSR1ALDH1A1TP53
SCHEMBL7598362 0.86 TMEM97 (0.51) PREPACE2FKBP1ATMEM97SIGMAR1
SCHEMBL7598366 0.86 TMEM97 (0.51) PREPACE2FKBP1ATMEM97SIGMAR1
SCHEMBL16983239 0.86 PREP (0.55) PREPACE2NPSR1TMEM97SIGMAR1
SCHEMBL1841001 0.86 TMEM97 (0.51) PREPACE2FKBP1ATMEM97SIGMAR1
SCHEMBL3119462 0.86 DAGLB (0.49) PREPACE2FKBP1ANPSR1TMEM97
SCHEMBL8342145 0.86 DAGLB (0.49) PREPACE2FKBP1ANPSR1TMEM97

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
WO-2010067233-A1 1,2,4 TRIAZOLO [4, 3 -A] [1,5] BENZODIAZEPIN-5 (6H) -ONES AS AGONISTS OF THE CHOLECYSTOKININ-1 RECEPTOR (CCK-IR) PFIZER INC. (US) 2010-06-17 WO disclosed
WO-2010067233-A1 1,2,4 TRIAZOLO [4, 3 -A] [1,5] BENZODIAZEPIN-5 (6H) -ONES AS AGONISTS OF THE CHOLECYSTOKININ-1 RECEPTOR (CCK-IR) PFIZER INC. (US) 2010-06-17 WO disclosed