SCHEMBL9752117

SCHEMBL9752117

N#Cc1ccc2c(c1)CC(N)CC2

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.57
DRD3 P35462 4/20 0.57
PLAU P00749 1/20 0.52
MAPT P10636 2/20 0.49
PNMT P11086 1/20 0.49
OPRK1 P41145 1/20 0.49
NFKB1 P19838 1/20 0.49
THPO P40225 1/20 0.49
HIF1A Q16665 1/20 0.49
HSD17B10 Q99714 1/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KDM4E B2RXH2 1/20 0.47
KDM1A O60341 2/20 0.47
ACHE P22303 1/20 0.43

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
SCHEMBL2722643 0.93 OPRK1 (0.57) DRD2DRD3PLAUMAPTOPRK1
SCHEMBL2724775 0.93 OPRK1 (0.57) DRD2DRD3PLAUMAPTOPRK1
SCHEMBL29593839 0.85 PNMT (0.49) DRD2DRD3PNMTOPRK1KDM1A
SCHEMBL4735015 0.85 PNMT (0.49) DRD2DRD3PNMTOPRK1KDM1A
Hydrochloric Acid SCHEMBL1785634 0.84 PNMT (0.47) DRD2DRD3PNMTKDM1A
Hydrochloric Acid SCHEMBL29878547 0.84 PNMT (0.47) DRD2DRD3PNMTKDM1A
SCHEMBL17478464 0.77 OPRK1 (0.48) OPRK1
SCHEMBL17478461 0.77 OPRK1 (0.48) OPRK1
SCHEMBL23652645 0.76 DRD2 (0.45) DRD2DRD3PNMTACHE
SCHEMBL22070979 0.76 PNMT (0.45) DRD2DRD3PNMTKDM1A

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 claimed
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 claimed