SCHEMBL7293003

SCHEMBL7293003

CN1CCN(c2cc(Cl)ccc2CCCNCc2ccc(Cl)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
CHRM2 P08172 1/20 0.44
POLB P06746 2/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HRH4 Q9H3N8 4/20 0.42
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
THRB P10828 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
HTR6 P50406 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
HTR3A P46098 2/20 0.39

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
SCHEMBL7286824 0.91 HRH4 (0.42) SMN1; SMN2CHRM2GAAL3MBTL1HRH4
SCHEMBL5093305 0.85 POLB (0.48) POLBHRH4LMNAKDM4ETDP1
SCHEMBL7287123 0.85 SMN1; SMN2 (0.44) SMN1; SMN2CHRM2POLBGAAL3MBTL1
SCHEMBL7296105 0.80 NPBWR1 (0.45) SMN1; SMN2CHRM2GAAL3MBTL1HRH4
SCHEMBL7293000 0.78 NPBWR1 (0.48) L3MBTL1LMNATDP1THRBNPBWR1
SCHEMBL7295548 0.77 L3MBTL1 (0.43) SMN1; SMN2CHRM2GAAL3MBTL1HRH4
SCHEMBL5099978 0.74 ALDH1A1 (0.42) POLBL3MBTL1LMNAKDM4ETDP1
SCHEMBL7297342 0.72 CXCR4 (0.45) SMN1; SMN2CHRM2KDM4ETDP1THRB
SCHEMBL4418818 0.72 CHRM2 (0.51) SMN1; SMN2CHRM2GAAL3MBTL1HRH4
SCHEMBL7289329 0.71 TMEM97 (0.46) SMN1; SMN2CHRM2POLBTP53LMNA

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