SCHEMBL7538162

SCHEMBL7538162

CCCC(CN)c1cccc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
AOC3 Q16853 1/20 0.42
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
SLC7A5 Q01650 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
OPRL1 P41146 2/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL17320101 0.89 AOC3 (0.42) SLC6A2SLC6A4AOC3IDO1TDO2
SCHEMBL9883145 0.86 SLC6A2 (0.46) SLC6A2SLC6A4AOC3IDO1TDO2
SCHEMBL19003606 0.86 AOC3 (0.41) SLC6A2SLC6A4AOC3IDO1TDO2
SCHEMBL11077274 0.85 IDO1 (0.52) SLC6A2SLC6A4AOC3IDO1TDO2
SCHEMBL7538156 0.83 AOC3 (0.39) SLC6A2SLC6A4AOC3IDO1TDO2
SCHEMBL2628025 0.83 SLC6A2 (0.43) SLC6A2SLC6A4AOC3IDO1TDO2
SCHEMBL21732183 0.83 OPRM1 (0.42) AOC3IDO1TDO2OPRM1OPRD1
SCHEMBL2633216 0.82 SLC7A5 (0.40) SLC6A2SLC6A4AOC3IDO1TDO2
SCHEMBL19002873 0.81 OPRM1 (0.39) AOC3IDO1TDO2SLC7A5OPRM1
SCHEMBL18647927 0.80 OPRM1 (0.38) AOC3SLC7A5OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711760-B1 METHOD OF ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL IND LTD (JP) 2002-05-15 EP disclosed
EP-0882720-B1 METHODS FOR MODIFYING 1,3,5-TRIAZINE DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2001-08-22 EP disclosed
US-6130332-A USING A GROUP 8 METAL CATALYST AND ALDEHYDES OR KETONE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-10 US disclosed
US-6127538-A HYDROXYALKYLATION OF A TRIAMINO TRIAZINE DERIVATIVE HAVING AT LEAST ONE REACTIVE NITROGEN BY REACTING WHILE HEATING WITH AN ALKANEDIOL OR ITS ADDUCT IN THE PRESENCE OF HYDROGEN AND A METAL CATALYST; BY-PRODUCT INHIBITION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-03 US disclosed
EP-0882720-A1 METHODS FOR MODIFYING 1,3,5-TRIAZINE DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1998-12-09 EP disclosed
US-5792867-A Method of alkylating of triazine derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-08-11 US disclosed
EP-0760369-A1 PROCESS FOR ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-03-05 EP disclosed
EP-0711760-A1 METHOD OF ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-05-15 EP disclosed