SCHEMBL7295243

SCHEMBL7295243

CN1CCN(c2ccccc2CC(CNCc2ccc(Cl)cc2)C(F)(F)F)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
GAA P10253 2/20 0.43
MC4R P32245 9/20 0.40
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
DRD3 P35462 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NCF1 P14598 1/20 0.39
NPC1 O15118 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL7294695 0.85 NPBWR1 (0.47) NPBWR1MCHR1GAAMC4RHTR1A
SCHEMBL7295239 0.79 NPBWR1 (0.48) NPBWR1MCHR1GAAMC4RHTR1A
SCHEMBL7294686 0.76 NPBWR1 (0.52) NPBWR1MCHR1MC4RHTR1ADRD2
SCHEMBL18781674 0.70 NCF1 (0.58) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL7284552 0.66 HTR2A (0.46) NPBWR1MCHR1HTR1ADRD2DRD4
SCHEMBL7296105 0.66 NPBWR1 (0.45) NPBWR1MCHR1GAAHTR1ADRD2
SCHEMBL7295548 0.66 L3MBTL1 (0.43) NPBWR1MCHR1GAAHTR1ADRD2
SCHEMBL7293003 0.65 SMN1; SMN2 (0.45) NPBWR1MCHR1GAADRD2DRD4
SCHEMBL5160922 0.65 NPBWR1 (0.65) NPBWR1MCHR1GAALMNAGLA
SCHEMBL414567 0.64 NCF1 (0.58) HTR1ADRD2DRD4HTR2AHTR2C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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