SCHEMBL9774174

SCHEMBL9774174

O=C(O)[C@@H]1C[C@@H]2CCC[C@@H]2N1C(=O)CCCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX15 P16050 1/20 0.51
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
PREP P48147 5/20 0.48

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
SCHEMBL9774258 0.96 ACE (0.53) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9773813 0.94 ACE (0.55) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9775243 0.92 EPHX1 (0.51) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9774278 0.91 ACE (0.54) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9775300 0.87 ACE (0.44) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9774157 0.85 PREP (0.49) ACEMEN1KMT2APREP
SCHEMBL10815275 0.85 ACE (0.55) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9775200 0.84 CYP1A2 (0.50) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9774299 0.83 PREP (0.47) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9774191 0.83 PREP (0.47) ACEMEN1KMT2ACYP3A4ALOX15

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