SCHEMBL9775211

SCHEMBL9775211

C[C@H](NC(=O)CCc1ccccc1)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@@H]21

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
CYP3A4 P08684 1/20 0.65
ALOX15 P16050 1/20 0.65
USP2 O75604 1/20 0.62
LMNA P02545 1/20 0.62
AGTR2 P50052 1/20 0.43

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
SCHEMBL9775222 1.00 ACE (0.65) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9775237 0.88 ACE (0.56) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9775244 0.88 ACE (0.56) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9775231 0.84 ACE (0.54) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL8302985 0.83 ACE (0.76) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL10014395 0.83 ACE (0.76) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL8151713 0.83 ACE (0.76) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL10014390 0.83 ACE (0.76) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL10591582 0.82 ACE (0.64) ACEMEN1KMT2ACYP3A4ALOX15
Ramiprilat SCHEMBL9594279 0.82 ACE (0.82) 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-5068242-A PYRROLIDINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE FOR PSYCHOTROPIC ACTION HOECHST AKTIENGESELLSCHAFT (DE) 1991-11-26 US disclosed