SCHEMBL4704666

SCHEMBL4704666

CCOc1cc(CN(c2ncc(-c3ccc(C(N)=O)cc3)cn2)C2CCNCC2)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
SSTR5 P35346 5/20 0.37
SSTR1 P30872 1/20 0.37
HRH1 P35367 1/20 0.37
AOC3 Q16853 2/20 0.37
TACR1 P25103 2/20 0.36
RORC P51449 1/20 0.36
MBTPS1 Q14703 2/20 0.35
KCNH2 Q12809 2/20 0.35
MAP3K11 Q16584 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL4703982 0.91 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3SSTR5AOC3
SCHEMBL4702295 0.91 REN (0.42) SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL4700986 0.91 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3SSTR5AOC3
SCHEMBL4705165 0.90 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3SSTR5AOC3
SCHEMBL3973812 0.87 SSTR5 (0.38) SLC6A2SLC6A4SLC6A3SSTR5SSTR1
SCHEMBL4701211 0.86 SLC6A4 (0.44) SLC6A2SLC6A4SLC6A3SSTR5SSTR1
SCHEMBL5558707 0.83 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3SSTR5SSTR1
SCHEMBL5564397 0.82 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL3978586 0.82 PROKR1 (0.41) SLC6A2SLC6A4SLC6A3SSTR5SSTR1
SCHEMBL3977983 0.81 SSTR5 (0.41) SLC6A2SLC6A4SLC6A3SSTR5SSTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001867-A2 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-12-17 EP claimed
WO-2007110340-A2 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-10-04 WO claimed
EP-2001867-A2 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-12-17 EP disclosed
WO-2007110340-A2 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-10-04 WO disclosed