SCHEMBL6676112

SCHEMBL6676112

CC/N=C(/NC(=O)OC(C)(C)C)Nc1ccc(CCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.54
CA2 P00918 8/20 0.49
CA1 P00915 6/20 0.49
CYP17A1 P05093 1/20 0.43
PTPN11 Q06124 1/20 0.42
CNR1 P21554 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
PTGER4 P35408 1/20 0.40
AKT1 P31749 1/20 0.39
DRD2 P14416 1/20 0.39
CTSK P43235 1/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6688945 0.87 CYP3A4 (0.46) NAMPTCA2CA1NR1H4AKT1
SCHEMBL7243568 0.86 NAMPT (0.54) NAMPTCA2CA1CYP17A1PTPN11
SCHEMBL6676258 0.84 CA1 (0.43) NAMPTCA2CA1CNR1NR1H4
SCHEMBL6687607 0.84 IDO1 (0.44) NAMPTCA2CA1PTPN11CNR1
SCHEMBL7247586 0.83 CA1 (0.43) NAMPTCA2CA1PTGER4GLA
SCHEMBL7248116 0.83 CA1 (0.43) NAMPTCA2CA1CYP17A1PTGER4
SCHEMBL6681071 0.83 NQO2 (0.41) NAMPTCA2CA1PTPN11NR1H4
SCHEMBL7243630 0.82 ALDH1A1 (0.42) NAMPTCA2CA1CNR1NR1H4
SCHEMBL6681996 0.82 MAPT (0.46) NAMPTCA2CA1KMT2A
SCHEMBL6681934 0.82 ALDH1A1 (0.42) NAMPTCNR1

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