SCHEMBL9774258

SCHEMBL9774258

O=C(O)[C@@H]1C[C@@H]2CCC[C@@H]2N1C(=O)CCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.53
PREP P48147 5/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL9773813 0.97 ACE (0.55) ACEPREPMEN1KMT2ACYP3A4
SCHEMBL9774174 0.96 ACE (0.52) ACEPREPMEN1KMT2ACYP3A4
SCHEMBL9774278 0.92 ACE (0.54) ACEPREPMEN1KMT2ACYP3A4
SCHEMBL9775243 0.88 EPHX1 (0.51) ACEPREPMEN1KMT2ACYP3A4
SCHEMBL9774157 0.88 PREP (0.49) ACEPREPMEN1KMT2ANPC1
SCHEMBL9775200 0.88 CYP1A2 (0.50) ACEPREPMEN1KMT2ACYP3A4
SCHEMBL9774191 0.86 PREP (0.47) ACEPREPMEN1KMT2ACYP3A4
SCHEMBL8796594 0.85 PREP (0.66) PREP
SCHEMBL9180223 0.85 PREP (0.66) PREP
SCHEMBL8796601 0.85 PREP (0.66) PREP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4983623-A Prolyl endopeptidase inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1991-01-08 US disclosed