SCHEMBL7591875

SCHEMBL7591875

Cn1ccc2ccc(N3CCCC3)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.50
TERT O14746 3/20 0.49
CYP2A6 P11509 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
ALOX15 P16050 2/20 0.45
KMT2A Q03164 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
LPAR5 Q9H1C0 1/20 0.42
HTR3A P46098 1/20 0.42
EGFR P00533 1/20 0.41
FAAH O00519 1/20 0.41
S100B P04271 2/20 0.40
LMNA P02545 1/20 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
SCHEMBL7994183 0.98 HTR6 (0.52) HTR6TERTCYP2A6L3MBTL1MEN1
SCHEMBL7594713 0.88 HTR3A (0.57) HTR6CYP2A6MEN1ALDH1A1MAPT
SCHEMBL7527390 0.85 MAPT (0.48) HTR6CYP2A6MEN1ALDH1A1MAPT
SCHEMBL19212285 0.85 HTR6 (0.54) HTR6CYP2A6MAPTHSD17B10HTR1A
SCHEMBL12004436 0.85 HTR3E (0.54) HTR6CYP2A6HTR1ADRD2HTR3A
SCHEMBL30584886 0.84 HTR6 (0.52) HTR6TERTCYP2A6L3MBTL1MEN1
SCHEMBL13113108 0.81 MEN1 (0.46) HTR6CYP2A6L3MBTL1MEN1ALDH1A1
SCHEMBL13871946 0.81 IDO1 (0.38) HTR6TERTCYP2A6L3MBTL1MEN1
SCHEMBL13871957 0.80 HTR6 (0.39) HTR6TERTCYP2A6L3MBTL1MEN1
SCHEMBL13113731 0.80 MEN1 (0.45) HTR6TERTCYP2A6L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242409-A2 SUBSTITUTED BISINDOLYLMALEIMIDES F. HOFFMANN-LA ROCHE AG (CH) 2002-09-25 EP disclosed
US-6281356-B1 ANTICANRCER AGENTS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed
WO-2001046178-A2 SUBSTITUIERTE BISINDOLYMALEIMIDE F. HOFFMANN-LA ROCHE AG (CH) 2001-06-28 WO disclosed