SCHEMBL4374516

SCHEMBL4374516

CC(=O)Nc1cccc(CCNc2nc(C)cc(N[C@@H](C)c3ccccc3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 10/20 0.51
BRAF P15056 2/20 0.47
NPR1 P16066 1/20 0.45
OGG1 O15527 1/20 0.45
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.41
SLC2A1 P11166 1/20 0.41

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
SCHEMBL4375683 0.82 HTR7 (0.56) HTR7LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL4375545 0.81 HTR7 (0.54) HTR7LMNAMAPTSMN1; SMN2HTT
SCHEMBL7006351 0.80 HTR7 (0.61) HTR7LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL4375523 0.76 HTR7 (0.56) HTR7MAPTL3MBTL1NPSR1SLC2A1
SCHEMBL7014074 0.76 HTR7 (0.54) HTR7MAPTL3MBTL1NPSR1SLC2A1
SCHEMBL4381740 0.74 HTR7 (0.49) HTR7LMNAMAPTKDM4EPOLB
SCHEMBL7006329 0.74 F7 (0.44) HTR7NPR1MAPTHTTNPC1
SCHEMBL4374959 0.72 NPC1 (0.45) HTR7NPR1MAPTHTTNPC1
SCHEMBL7013657 0.72 HTR7 (0.48) HTR7MAPTL3MBTL1NPSR1SLC2A1
SCHEMBL7006872 0.71 HTR7 (0.81) HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280781-B1 5-HT 7 RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2009-11-18 EP claimed
EP-1280781-A4 5-HT 7 RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2003-08-06 EP claimed
EP-1280781-A1 5-HT 7 RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2003-02-05 EP claimed
WO-2001085701-A1 5-HT7 RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-15 WO claimed
EP-1280781-B1 5-HT 7 RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2009-11-18 EP disclosed