SCHEMBL7802811

SCHEMBL7802811

NCCCN1CCN(c2ccccc2OC(F)(F)C(F)F)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.51
DRD3 P35462 2/20 0.51
CYP2D6 P10635 1/20 0.50
HTR1A P08908 2/20 0.49
DRD4 P21917 1/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 1/20 0.45
NLRP1 Q9C000 1/20 0.45
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR7 P34969 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL8828778 0.90 DRD2 (0.53) DRD2DRD3CYP2D6HTR1ADRD4
SCHEMBL7802816 0.85 DRD2 (0.49) DRD2DRD3CYP2D6HTR1ALMNA
SCHEMBL8828524 0.84 DRD2 (0.53) DRD2DRD3CYP2D6HTR1ALMNA
SCHEMBL6771682 0.82 ADRA1A (0.60) DRD2DRD3CYP2D6HTR1ALMNA
SCHEMBL7800106 0.81 DRD2 (0.70) DRD2DRD3CYP2D6HTR1ADRD4
SCHEMBL2215388 0.80 DRD2 (0.76) DRD2DRD3CYP2D6HTR1AALDH1A1
SCHEMBL29395171 0.80 DRD2 (0.76) DRD2DRD3CYP2D6HTR1AALDH1A1
SCHEMBL8828610 0.80 DRD2 (0.57) DRD2DRD3CYP2D6HTR1ADRD4
SCHEMBL5813861 0.79 ADRA1A (0.68) DRD2DRD3HTR1ADRD4
Hydrochloric Acid SCHEMBL11047866 0.79 DRD2 (0.74) DRD2DRD3HTR1ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0796251-B1 URACIL DERIVATIVES BYK GULDEN LOMBERG CHEM FAB (DE) 2001-10-17 EP disclosed
US-6046329-A Uracil derivatives BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-04-04 US disclosed
EP-0796251-A1 URACIL DERIVATIVES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1997-09-24 EP disclosed
WO-1996017831-A1 URACIL DERIVATIVES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-06-13 WO disclosed