SCHEMBL7293000

SCHEMBL7293000

CN1CCN(c2cc(Cl)ccc2CCC(=O)NCc2ccc(Cl)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.48
MCHR1 Q99705 1/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
HPGD P15428 2/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 2/20 0.45
THRB P10828 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL7286818 0.92 L3MBTL1 (0.48) NPBWR1MCHR1KMT2AMEN1HPGD
SCHEMBL7287116 0.85 MAPT (0.48) NPBWR1MCHR1KMT2AMEN1HPGD
SCHEMBL7296089 0.81 NPBWR1 (0.52) NPBWR1MCHR1KMT2AMEN1HPGD
SCHEMBL7295538 0.79 L3MBTL1 (0.59) NPBWR1MCHR1KMT2AMEN1HPGD
SCHEMBL7293003 0.78 SMN1; SMN2 (0.45) NPBWR1MCHR1ALDH1A1L3MBTL1LMNA
SCHEMBL11319437 0.76 KMT2A (0.61) KMT2AMEN1HPGDALDH1A1LMNA
SCHEMBL7287171 0.75 LMNA (0.52) NPBWR1MCHR1KMT2AMEN1HPGD
SCHEMBL7287166 0.75 LMNA (0.52) NPBWR1MCHR1KMT2AMEN1HPGD
SCHEMBL7297330 0.74 MEN1 (0.48) KMT2AMEN1HPGDALDH1A1LMNA
SCHEMBL7292861 0.73 KMT2A (0.47) KMT2AMEN1HPGDALDH1A1L3MBTL1

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