SCHEMBL9775244

SCHEMBL9775244

C[C@H](NC(=O)CCc1ccccc1)C(=O)N1[C@H](C(=O)OCc2ccccc2)C[C@@H]2CCC[C@@H]21

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP3A4 P08684 1/20 0.56
ALOX15 P16050 1/20 0.56
USP2 O75604 1/20 0.54
LMNA P02545 1/20 0.54
PREP P48147 2/20 0.42
FKBP1A P62942 3/20 0.41
CTSL P07711 1/20 0.40

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
SCHEMBL9775237 1.00 ACE (0.56) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9775222 0.88 ACE (0.65) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9775211 0.88 ACE (0.65) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9775231 0.88 ACE (0.54) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9773233 0.85 CTSL (0.54) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9592654 0.85 CTSL (0.54) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9256682 0.83 CTSL (0.54) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9698089 0.82 ACE (0.52) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9731915 0.82 ACE (0.52) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9698092 0.82 ACE (0.52) 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