SCHEMBL6678992

SCHEMBL6678992

CC(C)(C)OC(=O)NCc1ccc(NC(=N)NC2CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.55
FPR3 P25089 1/20 0.49
FPR2 P25090 1/20 0.49
MAPT P10636 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
NPSR1 Q6W5P4 2/20 0.43
XBP1 P17861 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ROCK2 O75116 1/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 1/20 0.42
EPHX1 P07099 1/20 0.41
GAA P10253 1/20 0.41
CYP17A1 P05093 1/20 0.41
IGF1R P08069 1/20 0.41
PTPN11 Q06124 1/20 0.40
EPHX2 P34913 1/20 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
SCHEMBL7238726 0.86 BRD4 (0.48) NAMPTL3MBTL1ROCK2
SCHEMBL30182404 0.80 NAMPT (0.59) NAMPTFPR3FPR2MAPTTDP1
SCHEMBL30182518 0.80 NAMPT (0.59) NAMPTFPR3FPR2MAPTTDP1
SCHEMBL8341550 0.80 NAMPT (0.55) NAMPTMAPTL3MBTL1HDAC1HDAC6
SCHEMBL23899184 0.80 NAMPT (0.59) NAMPTFPR3FPR2MAPTTDP1
SCHEMBL5595635 0.80 NAMPT (0.58) NAMPTFPR3FPR2MAPTTDP1
Hydrochloric Acid SCHEMBL5595297 0.79 NAMPT (0.57) NAMPTFPR3FPR2MAPTTDP1
SCHEMBL6676307 0.79 NAMPT (0.52) NAMPTFPR3FPR2MAPTTDP1
SCHEMBL19694494 0.78 NAMPT (0.62) NAMPTFPR3FPR2MAPTTDP1
SCHEMBL3180689 0.77 L3MBTL1 (0.61) NAMPTFPR3FPR2MAPTTDP1

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-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP disclosed
US-6534546-B1 Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-18 US disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP disclosed