SCHEMBL6675419

SCHEMBL6675419

CC(C)(C)OC(=O)N(Cc1cc(N)ccc1F)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.40
RIPK1 Q13546 3/20 0.38
HTR2C P28335 4/20 0.37
SLC6A4 P31645 4/20 0.37
HTR2A P28223 1/20 0.37
PRKCI P41743 1/20 0.36
NR1H2 P55055 1/20 0.36
ACHE P22303 1/20 0.36
SSTR4 P31391 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CPB2 Q96IY4 1/20 0.33

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
SCHEMBL12569696 0.88 PRKCI (0.38) GRM2PRKCINR1H2ACHESSTR4
SCHEMBL8169426 0.87 RIPK1 (0.46) RIPK1HTR2CSLC6A4HTR2APRKCI
SCHEMBL6674369 0.87 PRKCI (0.41) GRM2HTR2CPRKCINR1H2ACHE
SCHEMBL6682105 0.87 PRKCI (0.37) GRM2PRKCINR1H2ACHEAAK1
SCHEMBL6675964 0.86 HTR2A (0.40) GRM2HTR2CSLC6A4HTR2APRKCI
SCHEMBL7246662 0.84 GAA (0.36) GRM2HTR2CSLC6A4HTR2APRKCI
SCHEMBL6675380 0.83 AAK1 (0.37) GRM2PRKCINR1H2ACHEAAK1
SCHEMBL24891920 0.83 GRM2 (0.36) GRM2PRKCINR1H2ACHEAAK1
SCHEMBL30182580 0.83 GRM2 (0.36) GRM2PRKCINR1H2ACHEAAK1
SCHEMBL12547119 0.82 GRM2 (0.34) GRM2PRKCINR1H2ACHEAAK1

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