SCHEMBL7535576

SCHEMBL7535576

CN(C[O])C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 5/20 0.46
ADH1C P00326 3/20 0.46
HRH4 Q9H3N8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ADH1B P00325 1/20 0.37
FDPS P14324 1/20 0.37
FAAH O00519 1/20 0.37
PHGDH O43175 1/20 0.37
MGLL Q99685 1/20 0.37
POLB P06746 1/20 0.36
ABCB11 O95342 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
AR P10275 1/20 0.36

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
SCHEMBL21674244 0.79 HRH3 (0.45) ADH1AADH1CHRH4HRH3KDM4E
SCHEMBL20227845 0.79 HRH3 (0.45) ADH1AADH1CHRH4HRH3KDM4E
SCHEMBL18513374 0.79 HRH3 (0.45) ADH1AADH1CHRH4HRH3KDM4E
SCHEMBL7691331 0.78 HRH3 (0.48) ADH1AADH1CHRH4HRH3KDM4E
SCHEMBL170201 0.76 ADH1A (0.48) ADH1AADH1CHRH4HRH3KDM4E
SCHEMBL20197642 0.76 ADH1A (0.48) ADH1AADH1CHRH4HRH3KDM4E
SCHEMBL5703290 0.76 ADH1A (0.48) ADH1AADH1CHRH4HRH3KDM4E
SCHEMBL21180049 0.76 ADH1A (0.48) ADH1AADH1CHRH4HRH3KDM4E
SCHEMBL4570866 0.76 ADH1A (0.48) ADH1AADH1CHRH4HRH3KDM4E
SCHEMBL21386191 0.75 HRH3 (0.42) ADH1AADH1CHRH4HRH3KDM4E

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 5 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
US-6130332-A USING A GROUP 8 METAL CATALYST AND ALDEHYDES OR KETONE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-10 US 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