SCHEMBL8905807

SCHEMBL8905807

COc1ccc(C(O)CNCc2cccc(OC)c2C)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.48
ADRB2 P07550 4/20 0.47
DRD2 P14416 2/20 0.47
DRD1 P21728 2/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47
ADRB1 P08588 2/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SLC22A1 O15245 1/20 0.46
CHRM2 P08172 1/20 0.46
CYP3A4 P08684 1/20 0.46
CHRM1 P11229 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
SLC6A4 P31645 1/20 0.46
OPRM1 P35372 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HIF1A Q16665 1/20 0.46

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 0.88 MEN1 (0.59) OPRK1ADRB2DRD2DRD1DRD4
SCHEMBL8993333 0.88 ALDH1A1 (0.48) OPRK1ADRB2DRD2DRD1DRD4
SCHEMBL8907016 0.86 ADRB2 (0.51) OPRK1ADRB2DRD2DRD1DRD4
SCHEMBL11099823 0.82 ADRB2 (0.50) OPRK1ADRB2DRD2DRD1DRD4
SCHEMBL11098569 0.82 OPRK1 (0.54) OPRK1ADRB2DRD2DRD1DRD4
SCHEMBL8906035 0.82 OPRK1 (0.44) OPRK1ADRB2DRD2DRD1DRD4
SCHEMBL8904588 0.80 OPRK1 (0.57) OPRK1ADRB2DRD2DRD1DRD4
SCHEMBL11099951 0.79 ADRB2 (0.61) OPRK1ADRB2DRD2DRD1DRD4
SCHEMBL10070261 0.79 MEN1 (0.60) OPRK1ALDH1A1LMNANPSR1CD274
SCHEMBL8906311 0.78 ADRB2 (0.55) OPRK1ADRB2DRD2DRD1DRD4

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