SCHEMBL9775205

SCHEMBL9775205

CCCCCCCCOC(=O)[C@@H]1C[C@@H]2CCC[C@@H]2N1C(=O)[C@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
HRH2 P25021 8/20 0.40
HRH1 P35367 8/20 0.40
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
CTSL P07711 1/20 0.37
CTSK P43235 1/20 0.35
TLR2 O60603 2/20 0.34
TLR1 Q15399 2/20 0.34

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
SCHEMBL4404273 0.86 ACE (0.53) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9775259 0.84 ACE (0.51) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9773234 0.84 CHRM2 (0.36) ACEMEN1KMT2ACYP3A4TLR2
SCHEMBL9775457 0.82 ACE (0.43) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9775310 0.81 ACE (0.53) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9592654 0.80 CTSL (0.54) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9773233 0.80 CTSL (0.54) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9775231 0.80 ACE (0.54) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9773200 0.80 ACE (0.66) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL8755770 0.80 CHRM2 (0.37) 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 2 patents. 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
US-4999370-A ANXIOLYTIC AGENTS, INHIBITORS OF ANGIOTENSIN CONVERTING ENZYME, NOOTROPIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-12 US disclosed