SCHEMBL7294381

SCHEMBL7294381

O=C(Nc1cncn(C(C(=O)O)c2ccc(F)cc2)c1=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 11/20 0.47
MGLL Q99685 1/20 0.45
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ROCK2 O75116 1/20 0.41
CASP3 P42574 2/20 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
SCHEMBL6805631 0.93 POLB (0.48) ELANEMGLLPOLBNPC1RAB9A
SCHEMBL8614426 0.87 ELANE (0.49) ELANEPOLBNPC1RAB9AROCK2
SCHEMBL7292939 0.87 ELANE (0.46) ELANEMGLLPOLBNPC1RAB9A
SCHEMBL7297829 0.86 NAMPT (0.48) ELANEPOLBNPC1RAB9AUSP2
SCHEMBL8519576 0.85 NPC1 (0.45) ELANEMGLLPOLBNPC1RAB9A
SCHEMBL7293771 0.82 ELANE (0.43) ELANEPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL6803439 0.81 ALDH1A1 (0.47) POLBNPC1RAB9AUSP2ALDH1A1
SCHEMBL7297125 0.79 NPC1 (0.44) ELANEMGLLPOLBNPC1RAB9A
SCHEMBL7292947 0.78 ELANE (0.45) ELANEMGLLPOLBNPC1RAB9A
SCHEMBL6803679 0.78 RAB9A (0.50) NPC1RAB9ASMN1; SMN2CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0528633-B1 Pyrimidinyl acetamides as elastase inhibitors ZENECA LTD (GB) 2000-10-18 EP disclosed
US-5736535-A 1-pyrimidinylacetamide compounds which are inhibitors of human leukocyte elastase ZENECA LIMITED (GB) 1998-04-07 US disclosed
EP-0636143-B1 ALPHA-AMINOBORONIC ACID PEPTIDES AND THEIR USE AS ELASTASE INHIBITORS ZENECA LTD (GB) 1997-09-24 EP disclosed
EP-0636143-A1 ALPHA-AMINOBORONIC ACID PEPTIDES AND THEIR USE AS ELASTASE INHIBITORS. ZENECA LTD (GB) 1995-02-01 EP disclosed
WO-1993021214-A1 ALPHA-AMINOBORONIC ACID PEPTIDES AND THEIR USE AS ELASTASE INHIBITORS ZENECA LIMITED (GB) 1993-10-28 WO disclosed
US-5254558-A Substituted 1,3-diazines as leukocyte elastase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-19 US disclosed
EP-0528633-A1 Pyrimidinyl acetamides as elastase inhibitors ZENECA LIMITED (GB) 1993-02-24 EP disclosed