SCHEMBL10447705

SCHEMBL10447705

CCCN(CCCCc1ccccc1)C1CCc2ccc(NC(C)=O)cc2C1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 11/20 0.60
DRD2 P14416 10/20 0.60
DRD4 P21917 3/20 0.60
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTR1A P08908 2/20 0.50
ADRB2 P07550 1/20 0.50
CYP2D6 P10635 1/20 0.50
CASP1 P29466 1/20 0.50
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.49
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48

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
SCHEMBL9776884 0.93 DRD3 (0.54) DRD3DRD2DRD4MEN1KMT2A
SCHEMBL9776784 0.88 DRD2 (0.63) DRD3DRD2DRD4MEN1KMT2A
Bromide SCHEMBL10975000 0.87 DRD2 (0.64) DRD3DRD2DRD4MEN1KMT2A
SCHEMBL9776909 0.86 DRD2 (0.54) DRD3DRD2DRD4MEN1KMT2A
SCHEMBL7503050 0.84 DRD3 (0.60) DRD3DRD2DRD4MEN1KMT2A
SCHEMBL10447679 0.83 HTR1A (0.54) DRD3DRD2DRD4MEN1KMT2A
SCHEMBL9776845 0.82 DRD2 (0.50) DRD3DRD2DRD4
SCHEMBL10447452 0.81 DRD2 (0.56) DRD3DRD2DRD4MEN1KMT2A
SCHEMBL7329629 0.81 DRD2 (0.60) DRD3DRD2DRD4CYP2D6LMNA
SCHEMBL7330663 0.81 DRD2 (0.60) DRD3DRD2DRD4CYP2D6LMNA

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