SCHEMBL8410171

SCHEMBL8410171

COC(=O)C1CCC(NC(=O)c2cc(-c3ccc(C(=N)N)cc3)ccc2OC)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.48
ST14 Q9Y5Y6 8/20 0.47
F2 P00734 7/20 0.47
PRSS1 P07477 5/20 0.47
PRSS2 P07478 5/20 0.47
PRSS3 P35030 5/20 0.47
PLG P00747 2/20 0.47
KDM1A O60341 1/20 0.46
PDE4B Q07343 3/20 0.45
F10 P00742 1/20 0.44
MAPK14 Q16539 1/20 0.43
ALDH1A1 P00352 2/20 0.43
FYN P06241 1/20 0.43
TLR9 Q9NR96 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL8410563 0.92 KDM1A (0.48) ST14F2PRSS1PRSS2PRSS3
SCHEMBL9568084 0.90 F2 (0.46) ST14F2PRSS1PRSS2PRSS3
SCHEMBL9568086 0.90 F2 (0.46) ST14F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL9568183 0.89 F2 (0.46) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8407959 0.88 F2 (0.48) CFTRST14F2PRSS1PRSS2
SCHEMBL9568200 0.87 F2 (0.44) ST14F2PRSS1PRSS2PRSS3
SCHEMBL9568245 0.87 F2 (0.41) CFTRST14F2PRSS1PRSS2
SCHEMBL9568196 0.87 F2 (0.44) ST14F2PRSS1PRSS2PRSS3
SCHEMBL9568246 0.87 F2 (0.41) CFTRST14F2PRSS1PRSS2
SCHEMBL9568220 0.86 ST14 (0.40) CFTRST14F2PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5922763-A ANTICOAGULANT; CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1999-07-13 US disclosed
US-5736559-A CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS KARL THOMAE GMBH (DE) 1998-04-07 US disclosed
US-5677466-A TESTING USING A AMIDINOPHENYL CONTAINING COMPOUND DR. KARL THOMAE, GMBH (DE) 1997-10-14 US disclosed
US-5597825-A AGGREGATION INHIBITORS DR. KARL THOMAE GMBH (DE) 1997-01-28 US disclosed
EP-0567967-B1 Tritium-labelled fibrinogen-receptor-antagonists, their use and their production THOMAE GMBH DR K (DE) 1996-07-10 EP disclosed
EP-0496378-B1 Biphenylderivatives, drugs containing these compounds and processes for their preparation THOMAE GMBH DR K (DE) 1995-09-20 EP disclosed
EP-0567967-A1 Tritium-labelled fibrinogen-receptor-antagonists, their use and their production Dr. Karl Thomae GmbH (DE) 1993-11-03 EP disclosed
EP-0496378-A1 Biphenylderivatives, drugs containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-07-29 EP disclosed