SCHEMBL7286545

SCHEMBL7286545

CC(CC(=O)NCc1ccc(Cl)cc1)c1ccccc1N1CCN(C)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.54
MCHR1 Q99705 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
HTR1A P08908 4/20 0.51
DRD2 P14416 4/20 0.51
NPC1 O15118 1/20 0.49
MC4R P32245 5/20 0.47
TSHR P16473 3/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
GLA P06280 1/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL7287748 0.83 NPBWR1 (0.52) NPBWR1MCHR1L3MBTL1HTR1ADRD2
SCHEMBL7294686 0.77 NPBWR1 (0.52) NPBWR1MCHR1L3MBTL1HTR1ADRD2
SCHEMBL7296089 0.74 NPBWR1 (0.52) NPBWR1MCHR1L3MBTL1HTR1ANPC1
SCHEMBL7295617 0.74 NPBWR1 (0.54) NPBWR1MCHR1L3MBTL1DRD2NPC1
SCHEMBL7295611 0.74 NPBWR1 (0.54) NPBWR1MCHR1L3MBTL1DRD2NPC1
SCHEMBL7295032 0.73 NPBWR1 (0.53) NPBWR1MCHR1L3MBTL1DRD2NPC1
SCHEMBL7286486 0.73 KMT2A (0.55) NPBWR1MCHR1L3MBTL1DRD2NPC1
SCHEMBL7286482 0.73 KMT2A (0.55) NPBWR1MCHR1L3MBTL1DRD2NPC1
SCHEMBL7295039 0.73 NPBWR1 (0.53) NPBWR1MCHR1L3MBTL1DRD2NPC1
SCHEMBL7295538 0.73 L3MBTL1 (0.59) NPBWR1MCHR1L3MBTL1NPC1LMNA

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-0810220-B1 Arylacrylamide derivatives as 5HT1 agonists or antagonists PFIZER (US) 2001-12-12 EP disclosed
US-6258953-B1 Arylacrylamide derivatives PFIZER INC. 2001-07-10 US disclosed
EP-0810220-A1 Arylacrylamide derivatives as 5HT1 agonists or antagonists PFIZER INC. (US) 1997-12-03 EP disclosed