SCHEMBL8907016

SCHEMBL8907016

COc1ccc(C(O)CNCc2ccccc2C)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.51
DRD2 P14416 3/20 0.48
DRD3 P35462 3/20 0.48
ADRB1 P08588 3/20 0.48
DRD1 P21728 2/20 0.48
DRD4 P21917 2/20 0.48
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
CHRM2 P08172 2/20 0.47
SLC6A4 P31645 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SLC22A1 O15245 1/20 0.47
CYP3A4 P08684 1/20 0.47
CHRM1 P11229 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
OPRM1 P35372 1/20 0.47

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
SCHEMBL11102216 0.90 MEN1 (0.59) ADRB2DRD2DRD3ADRB1DRD1
SCHEMBL8905807 0.86 OPRK1 (0.48) ADRB2DRD2DRD3ADRB1DRD1
SCHEMBL11099823 0.86 ADRB2 (0.50) ADRB2DRD2DRD3ADRB1DRD1
SCHEMBL11098569 0.86 OPRK1 (0.54) ADRB2DRD2DRD3ADRB1DRD1
SCHEMBL8993333 0.84 ALDH1A1 (0.48) ADRB2DRD2DRD3ADRB1DRD1
SCHEMBL11099951 0.83 ADRB2 (0.61) ADRB2DRD2DRD3ADRB1DRD1
SCHEMBL11268795 0.81 ALDH1A1 (0.60) ADRB2DRD2DRD3ADRB1DRD1
SCHEMBL8906311 0.79 ADRB2 (0.55) ADRB2DRD2DRD3ADRB1DRD1
SCHEMBL8906035 0.79 OPRK1 (0.44) ADRB2DRD2DRD3ADRB1DRD1
SCHEMBL8904588 0.79 OPRK1 (0.57) ADRB2DRD2DRD3ADRB1DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5623074-A DERIVATIVES OF 7-DIHYDROXYPHENYL-4,5,6,7-TETRAHYDROTHIAZOLO (4,5-C)PYRIDINE WHICH ACT ON DOPAMINE RECEPTORS; NEPHROVASCULAR DILATORS, DIURETICS, SIDE EFFECT REDUCTION YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-04-22 US disclosed
US-5378849-A Kidney vasodilators; orally administered YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1995-01-03 US disclosed
US-5204468-A Nephrovascular dilators and diuretics; side effect reduction; administered by mouth YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1993-04-20 US disclosed
EP-0286293-B1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PRODUCTION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1992-07-01 EP disclosed
US-5079256-A Administering to treat diseases of circulatory organs such as renal/cardiac insufficiency YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-01-07 US disclosed
US-5077406-A Cyclization, deprotecting and salt formation YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-12-31 US disclosed
US-4966904-A DILUROGENITAL DISORDERS; DILATION OF NEOPHROVASCULAR TRACTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1990-10-30 US disclosed
US-4876261-A UROGENITAL DISORDERS; NEPHROVASCULAR DILATORS; ACT ON DOPAMINE RECEPTOR YAMANOUCHI PHARMACEUTICAL CO., LTD. 1989-10-24 US disclosed
EP-0286293-A1 Substituted tetrahydroisoquinoline compounds, their production, and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-10-12 EP disclosed