SCHEMBL9752129

SCHEMBL9752129

CCCN(CCC)C1CCc2ccc(C#N)cc2C1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.65
DRD3 P35462 8/20 0.65
DRD4 P21917 5/20 0.65
HTR1A P08908 4/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
ADRB2 P07550 1/20 0.65
CYP2D6 P10635 1/20 0.65
CASP1 P29466 1/20 0.65
LMNA P02545 2/20 0.64
MAPT P10636 1/20 0.64
FYN P06241 1/20 0.58

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
SCHEMBL8694386 0.89 DRD3 (0.58) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL8094252 0.81 DRD3 (0.54) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL8094256 0.81 DRD3 (0.54) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL17446285 0.80 DRD2 (0.72) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL7405845 0.79 DRD3 (0.54) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL7408204 0.79 DRD3 (0.54) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL7405840 0.79 DRD3 (0.54) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL7408200 0.79 DRD3 (0.54) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL7411429 0.79 DRD2 (0.70) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL623950 0.79 DRD2 (1.00) DRD2DRD3DRD4HTR1AMEN1

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-0435988-A1 2-AMINO-7-CARBAMOYL-1,2,3,4-TETRAHYDRONAPHTHALENES, PROCESS FOR PREPARING THEM AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM KG (DE) 1991-07-10 EP disclosed
WO-1991001297-A1 2-AMINO-7-CARBAMOYL-1,2,3,4-TETRAHYDRONAPHTHALENES, PROCESS FOR PREPARING THEM AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM KG (DE) 1991-02-07 WO disclosed