SCHEMBL10447679

SCHEMBL10447679

CCCN(CCCSC)C1CCc2ccc(NC(C)=O)cc2C1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.54
DRD2 P14416 8/20 0.53
DRD3 P35462 8/20 0.53
DRD4 P21917 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ADRB2 P07550 1/20 0.53
CYP2D6 P10635 1/20 0.53
CASP1 P29466 1/20 0.53
LMNA P02545 2/20 0.52
MAPT P10636 1/20 0.52
FYN P06241 1/20 0.47
MCHR1 Q99705 1/20 0.46

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
SCHEMBL9776784 0.91 DRD2 (0.63) HTR1ADRD2DRD3DRD4MEN1
Bromide SCHEMBL10975000 0.90 DRD2 (0.64) HTR1ADRD2DRD3DRD4MEN1
SCHEMBL9776909 0.88 DRD2 (0.54) HTR1ADRD2DRD3DRD4MEN1
SCHEMBL7503050 0.86 DRD3 (0.60) HTR1ADRD2DRD3DRD4MEN1
SCHEMBL10447452 0.84 DRD2 (0.56) HTR1ADRD2DRD3DRD4MEN1
SCHEMBL10447705 0.83 DRD3 (0.60) HTR1ADRD2DRD3DRD4MEN1
SCHEMBL9776892 0.81 DRD2 (0.49) HTR1ADRD2DRD3DRD4MEN1
SCHEMBL10447122 0.81 DRD3 (0.62) HTR1ADRD2DRD3DRD4MEN1
SCHEMBL9776884 0.80 DRD3 (0.54) HTR1ADRD2DRD3DRD4MEN1
SCHEMBL10447757 0.77 DRD2 (0.54) HTR1ADRD2DRD3DRD4MEN1

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
EP-0361300-A1 Use of 2,7 diamino-1,2,3,4-tetrahydronaphthalenes as drugs, 2,7 diamino-1,2,3,4-tetrahydronaphthalenes as well as processes for their preparation BOEHRINGER INGELHEIM KG (DE) 1990-04-04 EP disclosed