SCHEMBL7314568

SCHEMBL7314568

CC(C)(C)OC(=O)NCc1ccc(N2CC(CO)OC2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.48
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
GRM2 Q14416 1/20 0.43
NAMPT P43490 1/20 0.43
CALML3 P27482 4/20 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
SCHEMBL7313752 0.86 F10 (0.44) F10GRM2NAMPT
SCHEMBL7458570 0.85 NAMPT (0.43) F10NAMPT
SCHEMBL7458575 0.83 NAMPT (0.42) F10NAMPT
SCHEMBL8892459 0.79 F10 (0.41) F10NAMPT
SCHEMBL20802077 0.77 F10 (0.54) F10MAOAMAOBNAMPTCALML3
SCHEMBL6763371 0.77 MAPT (0.52) MAOAMAOBNAMPT
SCHEMBL6478216 0.77 MAOA (0.47) MAOAMAOBGRM2CALML3
SCHEMBL6763369 0.77 MAPT (0.52) MAOAMAOBNAMPT
SCHEMBL8892282 0.77 NAMPT (0.41) NAMPT
SCHEMBL7464219 0.77 SIGMAR1 (0.41) F10NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5627197-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-05-06 US disclosed
EP-0727425-A1 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-08-21 EP disclosed