SCHEMBL7554445

SCHEMBL7554445

NC1CCc2c(CO)cccc2C1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.63
DRD3 P35462 4/20 0.63
PLAU P00749 1/20 0.50
HTR6 P50406 1/20 0.45
ANPEP P15144 1/20 0.40
OPRK1 P41145 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL2485216 0.84 DRD2 (0.56) DRD2DRD3PLAUHTR6ANPEP
SCHEMBL1682787 0.84 DRD2 (0.56) DRD2DRD3PLAUHTR6ANPEP
SCHEMBL526993 0.79 TBXA2R (0.55) DRD2DRD3PLAUHTR6
SCHEMBL3318587 0.77 DRD2 (1.00) DRD2DRD3PLAUNFKB1THPO
SCHEMBL265580 0.77 DRD2 (1.00) DRD2DRD3PLAUNFKB1THPO
SCHEMBL11981410 0.77 DRD2 (1.00) DRD2DRD3PLAUNFKB1THPO
SCHEMBL31681697 0.77 DRD2 (1.00) DRD2DRD3PLAUNFKB1THPO
Bromide SCHEMBL10358294 0.76 DRD2 (0.96) DRD2DRD3PLAUNFKB1THPO
SCHEMBL4024066 0.75 DRD2 (0.66) DRD2DRD3PLAUHTR6OPRK1
Hydrochloric Acid SCHEMBL9368920 0.74 DRD3 (0.48) DRD2DRD3PLAUHTR6ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0970042-B1 5-HYDROXYMETHYL-2-AMINOTETRALINS AS CARDIOVASCULAR AGENTS ZAMBON SPA (IT) 2002-01-09 EP disclosed
US-6063964-A 5-hydroxymethyl-2-aminotetralins as cardiovascular agents ZAMBON GROUP S.P.A. (IT) 2000-05-16 US disclosed
US-6063964-A 5-hydroxymethyl-2-aminotetralins as cardiovascular agents ZAMBON GROUP S.P.A. (IT) 2000-05-16 US disclosed
EP-0970042-A1 5-HYDROXYMETHYL-2-AMINOTETRALINS AS CARDIOVASCULAR AGENTS ZAMBON GROUP S.p.A. (IT) 2000-01-12 EP disclosed
WO-1998038155-A1 5-HYDROXYMETHYL-2-AMINOTETRALINS AS CARDIOVASCULAR AGENTS ZAMBON GROUP S.P.A. (IT) 1998-09-03 WO disclosed