SCHEMBL9752126

SCHEMBL9752126

CCCN(Cc1ccccc1)[C@@H]1CCc2ccc(C(N)=O)cc2C1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 11/20 0.61
DRD2 P14416 10/20 0.58
DRD4 P21917 3/20 0.58
HTR1D P28221 2/20 0.54
HTR1B P28222 2/20 0.54
HTR1A P08908 2/20 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

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
SCHEMBL7407647 0.89 DRD3 (0.71) DRD3DRD2DRD4HTR1AMEN1
SCHEMBL7407655 0.89 DRD3 (0.71) DRD3DRD2DRD4HTR1AMEN1
Hydrochloric Acid SCHEMBL9752125 0.88 DRD3 (0.70) DRD3DRD2DRD4HTR1AMEN1
Hydrochloric Acid SCHEMBL9752127 0.88 DRD3 (0.70) DRD3DRD2DRD4HTR1AMEN1
SCHEMBL5242211 0.81 DRD3 (0.49) DRD3DRD2
SCHEMBL5241589 0.81 DRD3 (0.47) DRD3DRD2HTR1DHTR1B
Hydrochloric Acid SCHEMBL9752131 0.81 DRD3 (0.59) DRD3DRD2DRD4HTR1DHTR1B
Hydrochloric Acid SCHEMBL9752128 0.81 DRD3 (0.59) DRD3DRD2DRD4HTR1DHTR1B
Hydrochloric Acid SCHEMBL9752136 0.79 DRD3 (0.69) DRD3DRD2DRD4HTR1AMEN1
SCHEMBL8057491 0.79 DRD2 (0.82) DRD3DRD2DRD4

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