SCHEMBL7986154

SCHEMBL7986154

O=C1NC(=O)c2c(CCCN3CCN(c4ccccc4)CC3)cccc21

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.53
SIGMAR1 Q99720 4/20 0.52
KCNH2 Q12809 1/20 0.50
DRD3 P35462 3/20 0.48
DRD2 P14416 2/20 0.48
DRD5 P21918 2/20 0.48
HTR7 P34969 3/20 0.47
PARP1 P09874 1/20 0.47
DRD4 P21917 2/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL7983420 0.96 HTR1A (0.55) HTR1ASIGMAR1KCNH2DRD3DRD2
SCHEMBL7986389 0.86 CCR3 (0.50) SIGMAR1
SCHEMBL8828516 0.84 DRD2 (0.51) HTR1ADRD3DRD2HTR7
SCHEMBL7986525 0.82 CCR3 (0.56)
SCHEMBL7989675 0.81 SIGMAR1 (0.54) SIGMAR1DRD2HTR7PARP1CYP2D6
SCHEMBL23142609 0.81 CCNE2 (0.43) SIGMAR1
SCHEMBL4910767 0.81 CHEK1 (0.50) HTR1ASIGMAR1DRD2PARP1
SCHEMBL8557009 0.80 CHEK1 (0.47) SIGMAR1PARP1
SCHEMBL3174237 0.80 CHEK1 (0.47) SIGMAR1DRD3DRD2PARP1
SCHEMBL7971599 0.80 CCR3 (0.54) SIGMAR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed