SCHEMBL7276586

SCHEMBL7276586

CC(C)[C@H](N)C(=O)N(C(=O)OCc1ccccc1)C(=O)[C@@H]1CCCN1[C@H](C=O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.39
PREP P48147 4/20 0.38
ELANE P08246 1/20 0.38
SLC15A1 P46059 1/20 0.36
FKBP1A P62942 2/20 0.36
PRCP P42785 1/20 0.36
ACE2 Q9BYF1 1/20 0.35
ACE P12821 1/20 0.35
CCR5 P51681 1/20 0.35
CASP1 P29466 1/20 0.35
CTRB1 P17538 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL7285956 0.83 TSHR (0.38) SIGMAR1PREPELANESLC15A1FKBP1A
SCHEMBL9745927 0.83 PREP (0.39) SIGMAR1PREPELANESLC15A1FKBP1A
SCHEMBL7279078 0.83 PREP (0.39) SIGMAR1PREPELANESLC15A1FKBP1A
Hydrochloric Acid SCHEMBL7287636 0.80 ACE (0.35) SIGMAR1PREPELANEACECCR5
SCHEMBL7286288 0.79 FAAH (0.39) SIGMAR1PREPELANEFKBP1AACE2
SCHEMBL7278813 0.79 F2 (0.37) SIGMAR1PREPELANEFKBP1AACE2
SCHEMBL7279371 0.78 FAAH (0.34) SIGMAR1PREPELANESLC15A1FKBP1A
SCHEMBL7279122 0.78 F2 (0.37) PREPCASP1
SCHEMBL7279611 0.77 ELANE (0.34) SIGMAR1PREPELANECCR5
SCHEMBL6449506 0.77 PREP (0.35) SIGMAR1PREPELANEFKBP1AACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0291234-B1 Peptidic human leukocyte elastase (HLE) inhibitors ZENECA INC (US) 1994-03-23 EP disclosed
US-5164371-A HETEROCYCLIC KETONES ICI AMERICAS INC. (US) 1992-11-17 US disclosed
EP-0291234-A2 Peptidic human leukocyte elastase (HLE) inhibitors ZENECA INC. (US) 1988-11-17 EP disclosed