SCHEMBL8633138

SCHEMBL8633138

O=C(NCc1ccccc1)c1ccccc1C(=O)N1CSCC1CO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.53
KMT2A Q03164 4/20 0.50
GAA P10253 2/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
APEX1 P27695 1/20 0.47
METAP2 P50579 1/20 0.44
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.42
NSD2 O96028 2/20 0.41
SGMS2 Q8NHU3 1/20 0.41

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
SCHEMBL8637779 0.84 PREP (0.53) PREPKMT2AGAAHPGDLMNA
SCHEMBL8636651 0.80 PREP (0.69) PREPKMT2AGAAHPGDLMNA
SCHEMBL8636646 0.80 PREP (0.69) PREPKMT2AGAAHPGDLMNA
SCHEMBL8635604 0.79 GAA (0.44) GAAALDH1A1
SCHEMBL11901003 0.73 KMT2A (0.89) KMT2AGAAHPGDLMNAL3MBTL1
SCHEMBL31680569 0.73 KMT2A (0.89) KMT2AGAAHPGDLMNAL3MBTL1
SCHEMBL8635557 0.71 PREP (0.69) PREPKMT2AGAAHPGDLMNA
SCHEMBL8635709 0.69 KMT2A (1.00) KMT2AGAAHPGDLMNAL3MBTL1
SCHEMBL1984940 0.69 KMT2A (1.00) KMT2AGAAHPGDLMNAL3MBTL1
SCHEMBL10470684 0.68 HTR1A (0.46) HPGDCYP2C19HSD17B10POLBALDH1A1

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