SCHEMBL8635557

SCHEMBL8635557

O=CC1CCCN1C(=O)c1ccccc1C(=O)NCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.69
KMT2A Q03164 2/20 0.51
APEX1 P27695 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ITGA4 P13612 1/20 0.45
ITGB7 P26010 1/20 0.45
METAP2 P50579 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL8636646 0.83 PREP (0.69) PREPKMT2AAPEX1HRH3LMNA
SCHEMBL8636651 0.83 PREP (0.69) PREPKMT2AAPEX1HRH3LMNA
SCHEMBL8637779 0.80 PREP (0.53) PREPKMT2AAPEX1LMNAGAA
SCHEMBL8635668 0.80 PREP (0.64) PREPKMT2AAPEX1HRH3CYP3A4
SCHEMBL9538915 0.80 PREP (0.64) PREPKMT2AAPEX1HRH3CYP3A4
SCHEMBL8633260 0.79 PREP (0.54) PREPGAAALDH1A1
SCHEMBL7266943 0.77 DPP4 (0.56) KMT2AHRH3LMNAGAAALDH1A1
SCHEMBL8633510 0.75 F2 (0.53) HRH3HPGDCYP3A4CYP2C9PKM
SCHEMBL7275001 0.75 GAA (0.56) PREPKMT2AHRH3LMNAGAA
SCHEMBL7272291 0.75 MEN1 (0.55) KMT2AHRH3LMNAGAAALDH1A1

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