SCHEMBL6447563

SCHEMBL6447563

CC(C)(C)OC(=O)NCc1ccc(CNC(=O)N2CCNCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
TPSAB1 Q15661 1/20 0.43
TPSD1 Q9BZJ3 1/20 0.43
TPSG1 Q9NRR2 1/20 0.43
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ROCK2 O75116 1/20 0.42
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL7766588 0.90 NAMPT (0.48) NAMPTKDM4ENPC1ROCK2HTR2C
SCHEMBL6774620 0.85 SIGMAR1 (0.50) NAMPTL3MBTL1GAACA1CA2
SCHEMBL24120598 0.85 SMN1; SMN2 (0.52) NAMPTL3MBTL1MEN1KMT2AGAA
SCHEMBL12801504 0.82 NAMPT (0.53) NAMPTL3MBTL1MEN1KMT2AKDM4E
SCHEMBL654167 0.80 SMN1; SMN2 (0.60) MEN1KMT2ANPC1HRH3SMN1; SMN2
SCHEMBL3180689 0.80 L3MBTL1 (0.61) NAMPTL3MBTL1GAACA1CA2
SCHEMBL7770409 0.79 CHRM3 (0.51) NAMPT
SCHEMBL29682382 0.78 MEN1 (0.51) L3MBTL1MEN1KMT2AKDM4ENPC1
SCHEMBL12801912 0.78 MEN1 (0.51) MEN1KMT2AKDM4EHRH3TPSAB1
SCHEMBL5956394 0.78 TP53 (0.59) MEN1KMT2ANPC1SMN1; SMN2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960588-B1 Tryptase inhibitors ALTANA PHARMA AG (DE) 2005-11-01 US disclosed
EP-1208089-B1 DIAZOCIN-DIONE DERIVATIVES AND THEIR USE AS TRYPTASE INHIBITORS ALTANA PHARMA AG (DE) 2004-10-13 EP disclosed
US-6673786-B1 TREATING ALLERGIC OR INFLAMMATORY DISORDERS ALTANA PHARMA AG (DE) 2004-01-06 US disclosed
EP-1216236-A1 TRYPTASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2002-06-26 EP disclosed
EP-1208089-A2 DIAZOCIN-DIONE DERIVATIVES AND THEIR USE AS TRYPTASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2002-05-29 EP disclosed
EP-1115731-A2 NOVEL PYRANOSES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-07-18 EP disclosed
WO-2001019809-A1 TRYPTASE INHIBITORS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-03-22 WO disclosed
WO-2001010848-A2 DIAZOCIN-DIONE DERIVATIVES AND THEIR USE S TRYPTASE INHIBITORS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-02-15 WO disclosed
WO-2000014097-A2 NOVEL PYRANOSES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-03-16 WO disclosed