SCHEMBL8635668

SCHEMBL8635668

O=C(NCc1ccccc1)c1ccccc1C(=O)N1CCCC1C(=O)C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.64
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
CYP2C19 P33261 1/20 0.47
FKBP1A P62942 2/20 0.46
POLB P06746 1/20 0.44
FAP Q12884 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
APEX1 P27695 1/20 0.44

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
SCHEMBL9538915 1.00 PREP (0.64) PREPALDH1A1KMT2ACYP3A4CYP2C9
SCHEMBL8636646 0.80 PREP (0.69) PREPKMT2APOLBHRH3APEX1
SCHEMBL8635557 0.80 PREP (0.69) PREPALDH1A1KMT2ACYP3A4CYP2C9
SCHEMBL8636651 0.80 PREP (0.69) PREPKMT2APOLBHRH3APEX1
SCHEMBL8634319 0.79 GAA (0.45)
SCHEMBL9536551 0.77 KMT2A (0.51) ALDH1A1KMT2ACYP2C19POLB
SCHEMBL9753642 0.77 KMT2A (0.51) ALDH1A1KMT2ACYP2C19POLB
SCHEMBL9069914 0.76 CA2 (0.49) ALDH1A1
SCHEMBL11901003 0.71 KMT2A (0.89) KMT2ACYP3A4CYP2C9CYP2C19APEX1
SCHEMBL31680569 0.71 KMT2A (0.89) KMT2ACYP3A4CYP2C9CYP2C19APEX1

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