SCHEMBL7296089

SCHEMBL7296089

Cc1cccc(N2CCN(C)CC2)c1CCC(=O)NCc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.52
MCHR1 Q99705 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 1/20 0.47
THRB P10828 1/20 0.47
ALDH1A1 P00352 1/20 0.45
HTR1A P08908 1/20 0.45
HTR7 P34969 1/20 0.45
TP53 P04637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 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
SCHEMBL7295538 0.90 L3MBTL1 (0.59) NPBWR1MCHR1L3MBTL1NPC1MAPT
SCHEMBL7287116 0.87 MAPT (0.48) NPBWR1MCHR1L3MBTL1NPC1MAPT
SCHEMBL7293000 0.81 NPBWR1 (0.48) NPBWR1MCHR1L3MBTL1NPC1MAPT
SCHEMBL7296105 0.80 NPBWR1 (0.45) NPBWR1MCHR1L3MBTL1NPC1MAPT
SCHEMBL7286818 0.77 L3MBTL1 (0.48) NPBWR1MCHR1L3MBTL1NPC1MAPT
SCHEMBL7284217 0.77 KMT2A (0.52) NPBWR1MCHR1L3MBTL1NPC1MAPT
SCHEMBL7284221 0.77 KMT2A (0.52) NPBWR1MCHR1L3MBTL1NPC1MAPT
SCHEMBL7286545 0.74 NPBWR1 (0.54) NPBWR1MCHR1L3MBTL1NPC1MAPT
SCHEMBL11319437 0.74 KMT2A (0.61) MEN1KMT2AHPGDLMNAALDH1A1
SCHEMBL7295617 0.72 NPBWR1 (0.54) NPBWR1MCHR1L3MBTL1NPC1MAPT

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