SCHEMBL8917380

SCHEMBL8917380

CCS(=O)(=O)Nc1cccc(C(=O)NCC(O)c2ccc(OC)c(OC)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
ROCK2 O75116 5/20 0.43
ROCK1 Q13464 4/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
PRMT5 O14744 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.41
SMPD1 P17405 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL9768401 0.91 PRMT5 (0.52) ALDH1A1ROCK2ROCK1PRMT5LMNA
SCHEMBL8911177 0.80 OPRK1 (0.49) ALDH1A1OPRM1LMNA
SCHEMBL8366885 0.80 OPRM1 (0.51) OPRM1OPRD1
SCHEMBL8910176 0.76 TDP1 (0.53) ROCK2ROCK1LMNAMAPK1SMPD1
SCHEMBL8910713 0.74 ADRB3 (0.52) LMNA
SCHEMBL7930108 0.73 KMT2A (0.57) ROCK2ROCK1LMNAMAPK1SMPD1
SCHEMBL7239155 0.72 MAPK14 (0.66) ALDH1A1LMNATDP1
SCHEMBL8911567 0.71 ADRB3 (0.55)
SCHEMBL4187307 0.71 POLB (0.72) ALDH1A1LMNAMAPK1
SCHEMBL25110737 0.71 HPGD (0.53) ALDH1A1ROCK2LMNA

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