SCHEMBL3928975

SCHEMBL3928975

CCCOc1cc(CN(c2cc(OC)nc(O)n2)C2CCNCC2)ccc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.44
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
IKBKB O14920 4/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FPR2 P25090 3/20 0.37
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
SSTR5 P35346 1/20 0.35
PDE4A P27815 2/20 0.34
MAPK1 P28482 2/20 0.34
PDE4D Q08499 2/20 0.34
TNF P01375 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PDE4B Q07343 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
SCHEMBL3939671 0.95 REN (0.45) RENSLC6A2SLC6A4SLC6A3IKBKB
SCHEMBL3931492 0.93 REN (0.41) RENSLC6A2SLC6A4SLC6A3IKBKB
SCHEMBL3929666 0.89 REN (0.40) RENSLC6A2SLC6A4SLC6A3IKBKB
SCHEMBL3938205 0.88 REN (0.39) RENSLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL3939710 0.85 SLC6A2 (0.40) RENSLC6A2SLC6A4SLC6A3IKBKB
SCHEMBL3939023 0.85 SLC6A2 (0.37) RENSLC6A2SLC6A4SLC6A3IKBKB
SCHEMBL3939276 0.84 SLC6A2 (0.39) RENSLC6A2SLC6A4SLC6A3IKBKB
SCHEMBL3937186 0.84 SLC6A2 (0.39) RENSLC6A2SLC6A4SLC6A3IKBKB
SCHEMBL3927956 0.84 SLC6A4 (0.39) RENSLC6A2SLC6A4SLC6A3IKBKB
SCHEMBL3936556 0.80 IKBKB (0.36) SLC6A2SLC6A4SLC6A3IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044054-A2 PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY F. Hoffmann-Roche AG (CH) 2009-04-08 EP disclosed
WO-2008000692-A2 PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 WO disclosed