SCHEMBL7286288

SCHEMBL7286288

CC(C)[C@H](N)C(=O)N(C(=O)OCc1ccccc1)C(=O)[C@@H]1CCCN1[C@H](C(=O)c1ncco1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.39
PREP P48147 2/20 0.35
SIGMAR1 Q99720 1/20 0.34
FKBP1A P62942 4/20 0.34
ELANE P08246 1/20 0.34
KLK7 P49862 1/20 0.33
KLK5 Q9Y337 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ACE2 Q9BYF1 1/20 0.33

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
SCHEMBL7278813 0.85 F2 (0.37) PREPSIGMAR1FKBP1AELANEACE2
SCHEMBL7279371 0.84 FAAH (0.34) FAAHPREPSIGMAR1FKBP1AELANE
SCHEMBL7276163 0.82 ELANE (0.39) PREPELANE
SCHEMBL6449506 0.81 PREP (0.35) PREPSIGMAR1FKBP1AELANEACE2
SCHEMBL7004719 0.81 NPC1 (0.37) PREPFKBP1AELANELMNA
SCHEMBL7279122 0.81 F2 (0.37) PREPLMNAHSD17B10
SCHEMBL9744946 0.80 ELANE (0.47) ELANE
SCHEMBL7289208 0.80 ELANE (0.47) ELANE
SCHEMBL7276586 0.79 SIGMAR1 (0.39) PREPSIGMAR1FKBP1AELANEACE2
SCHEMBL7288778 0.78 ELANE (0.34) ELANE

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