SCHEMBL3936711

SCHEMBL3936711

CCOc1cc(CNC2CCNCC2)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
MEN1 O00255 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAPT P10636 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
OPRK1 P41145 1/20 0.49
LMNA P02545 2/20 0.44
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
HTR6 P50406 1/20 0.41
HTT P42858 2/20 0.41
MITF O75030 1/20 0.40
SSTR5 P35346 3/20 0.40
HRH1 P35367 2/20 0.40
HTR2B P41595 1/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40

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
SCHEMBL3931762 0.85 KMT2A (0.52) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL4980744 0.81 PRMT5 (0.64) PRMT5WDR77HTR6SLC6A2SLC6A4
SCHEMBL27704317 0.80 PRMT5 (0.47) KMT2AMEN1SMN1; SMN2NPSR1PRMT5
SCHEMBL8316562 0.78 KMT2A (0.62) KMT2AMEN1SMN1; SMN2MAPTNPSR1
SCHEMBL12448915 0.77 PRMT5 (0.49) ALDH1A1PRMT5WDR77HTTSLC6A2
SCHEMBL19650826 0.76 KMT2A (0.57) KMT2AMEN1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL2086320 0.75 KMT2A (0.44) KMT2AMEN1SMN1; SMN2MAPTNPSR1
SCHEMBL16463823 0.74 FOS (0.49) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL11619356 0.73 LMNA (0.47) KMT2AMEN1SMN1; SMN2MAPTNPSR1
SCHEMBL11684657 0.73 KMT2A (0.67) KMT2AMEN1SMN1; SMN2NPSR1ALDH1A1

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-2054385-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-05-06 EP disclosed
EP-2044054-A2 PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY F. Hoffmann-Roche AG (CH) 2009-04-08 EP disclosed
EP-2001867-A2 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-12-17 EP disclosed
EP-1893603-A1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2008-03-05 EP disclosed
WO-2008019967-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 WO 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
WO-2007110340-A2 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-10-04 WO disclosed
WO-2006128803-A1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-12-07 WO disclosed