SCHEMBL8635649

SCHEMBL8635649

O=CC1CCCN1C(=O)c1ccccc1Sc1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.45
HCRTR2 O43614 4/20 0.38
HSD11B1 P28845 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
HCRTR1 O43613 1/20 0.36

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
SCHEMBL8636150 0.84 ABL1 (0.43) HCRTR2POLBLMNAHCRTR1
SCHEMBL8634326 0.82 PREP (0.51) PREPALDH1A1KMT2AMEN1LMNA
SCHEMBL25796211 0.80 L3MBTL1 (0.53) PREPALDH1A1KMT2AMEN1
SCHEMBL6370221 0.77 CHRNA7 (0.43) HCRTR2KMT2AMEN1LMNA
SCHEMBL13272425 0.76 PREP (0.47) PREPHCRTR2HSD11B1ALDH1A1KMT2A
SCHEMBL8633260 0.71 PREP (0.54) PREPHCRTR2ALDH1A1HCRTR1
SCHEMBL5173202 0.70 PREP (0.51) PREPALDH1A1POLB
SCHEMBL11447174 0.70 PREP (0.51) PREPALDH1A1POLB
SCHEMBL7284818 0.70 PREP (0.51) PREPALDH1A1POLB
SCHEMBL8632678 0.69 TSHR (0.54) PREPALDH1A1KMT2AMEN1LMNA

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
US-5847155-A Aromatic pyrrolidine amide prolyl endopeptidase inhibitors PFIZER INC (US) 1998-12-08 US disclosed
EP-0536163-A1 AROMATIC PYRROLIDINE AND THIAZOLIDINE AMIDES PFIZER INC. (US) 1993-04-14 EP disclosed
WO-1991018891-A1 AROMATIC PYRROLIDINE AND THIAZOLIDINE AMIDES PFIZER INC. (US) 1991-12-12 WO disclosed