SCHEMBL7296105

SCHEMBL7296105

Cc1cccc(N2CCN(C)CC2)c1CCCNCc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.45
MCHR1 Q99705 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CHRM2 P08172 1/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 1/20 0.43
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
DRD2 P14416 3/20 0.41
DRD3 P35462 2/20 0.41
DRD4 P21917 2/20 0.40
KDM4E B2RXH2 1/20 0.40
THRB P10828 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HRH4 Q9H3N8 1/20 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
SCHEMBL7295548 0.90 L3MBTL1 (0.43) NPBWR1MCHR1SMN1; SMN2CHRM2GAA
SCHEMBL7287123 0.86 SMN1; SMN2 (0.44) NPBWR1MCHR1SMN1; SMN2CHRM2TP53
SCHEMBL7296089 0.80 NPBWR1 (0.52) NPBWR1MCHR1TP53MAPTL3MBTL1
SCHEMBL7293003 0.80 SMN1; SMN2 (0.45) NPBWR1MCHR1SMN1; SMN2CHRM2TP53
SCHEMBL7286824 0.76 HRH4 (0.42) NPBWR1MCHR1SMN1; SMN2CHRM2TP53
SCHEMBL4418818 0.71 CHRM2 (0.51) SMN1; SMN2CHRM2GAAL3MBTL1TMEM97
SCHEMBL7284217 0.70 KMT2A (0.52) NPBWR1MCHR1SMN1; SMN2TP53MAPT
SCHEMBL7295538 0.70 L3MBTL1 (0.59) NPBWR1MCHR1SMN1; SMN2MAPTL3MBTL1
SCHEMBL7284221 0.70 KMT2A (0.52) NPBWR1MCHR1SMN1; SMN2TP53MAPT
SCHEMBL7294695 0.69 NPBWR1 (0.47) NPBWR1MCHR1GAAL3MBTL1DRD2

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