SCHEMBL5240989

SCHEMBL5240989

CCCN(Cc1ccccc1)C1COc2cc(O)ccc2C1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 8/20 0.53
DRD2 P14416 10/20 0.53
DRD4 P21917 4/20 0.53
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTR1A P08908 1/20 0.47
ADRB2 P07550 1/20 0.47
CYP2D6 P10635 1/20 0.47
CASP1 P29466 1/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
HTR7 P34969 1/20 0.46
HTR1D P28221 1/20 0.44
HTR1B P28222 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
SCHEMBL5276539 1.00 DRD3 (0.53) DRD3DRD2DRD4MEN1KMT2A
Hydrochloric Acid SCHEMBL9787102 0.87 DRD3 (0.61) DRD3DRD2DRD4MEN1KMT2A
SCHEMBL5241589 0.84 DRD3 (0.47) DRD3DRD2HTR7HTR1DHTR1B
SCHEMBL5239898 0.84 DRD3 (0.48) DRD3DRD2DRD4CYP2D6LMNA
SCHEMBL5237088 0.84 DRD2 (0.43) DRD3DRD2HTR7HTR1DHTR1B
SCHEMBL5240158 0.84 DRD3 (0.48) DRD3DRD2DRD4CYP2D6LMNA
SCHEMBL5238243 0.81 DRD2 (0.46) DRD3DRD2DRD4CYP2D6LMNA
SCHEMBL5238250 0.81 DRD2 (0.46) DRD3DRD2DRD4CYP2D6LMNA
SCHEMBL5238113 0.79 DRD3 (0.51) DRD3DRD2HTR7
SCHEMBL4107728 0.79 DRD2 (0.43) DRD3DRD2HTR7HTR1D

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
EP-1819690-A2 CHROMAN COMPOUNDS Pfizer Limited (GB) 2007-08-22 EP disclosed
WO-2006056850-A2 CHROMAN COMPOUNDS PFIZER LIMITED (GB) 2006-06-01 WO disclosed