SCHEMBL7006329

SCHEMBL7006329

CC(=O)Nc1cccc(CCc2c(C)nc(N[C@@H](C)c3ccccc3)nc2N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NPR1 P16066 1/20 0.43
AOC3 Q16853 1/20 0.41
HTR7 P34969 1/20 0.41
LDHA P00338 1/20 0.40
TPH1 P17752 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.39
ENPP1 P22413 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
PTGIR P43119 1/20 0.38
EGFR P00533 1/20 0.38

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
SCHEMBL4374959 0.86 NPC1 (0.45) F7F3NPC1RAB9ANPR1
SCHEMBL7007978 0.82 HTR7 (0.45) HTR7LDHAALDH1A1
SCHEMBL7014065 0.82 HTR7 (0.47) HTR7LDHAMEN1KMT2A
SCHEMBL7007980 0.82 HTR7 (0.45) HTR7LDHAALDH1A1
SCHEMBL7006322 0.80 MAPK14 (0.44) HTR7LDHA
SCHEMBL7009364 0.78 HTR7 (0.49) HTR7TPH1
SCHEMBL7007986 0.76 HTR7 (0.43) HTR7ALDH1A1EGFR
SCHEMBL7018081 0.75 ALDH1A1 (0.46) HTR7MEN1ALDH1A1KMT2A
SCHEMBL7014716 0.74 ALDH1A1 (0.41) HTR7LDHAMAPTMEN1ALDH1A1
SCHEMBL4374516 0.74 HTR7 (0.51) NPC1RAB9ANPR1HTR7NPSR1

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-1280781-A4 5-HT 7 RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2003-08-06 EP disclosed
EP-1280781-A1 5-HT 7 RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2003-02-05 EP disclosed
WO-2001085701-A1 5-HT7 RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-15 WO disclosed