SCHEMBL8910176

SCHEMBL8910176

COc1cc(C(=O)NCC(O)c2ccc(OC)c(OC)c2)ccc1C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
MAPK1 P28482 1/20 0.50
SMPD1 P17405 1/20 0.50
ROCK2 O75116 4/20 0.49
ROCK1 Q13464 4/20 0.49
NR1H4 Q96RI1 1/20 0.49
TAS1R3 Q7RTX0 2/20 0.48
TAS1R1 Q7RTX1 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PKM P14618 1/20 0.48
POLB P06746 1/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
TP53 P04637 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
SCHEMBL7930108 0.85 KMT2A (0.57) TDP1MAPK1SMPD1ROCK2ROCK1
SCHEMBL17038603 0.78 TDP1 (0.48) TDP1MAPK1SMPD1ROCK2ROCK1
SCHEMBL11818791 0.78 KMT2A (0.52) MAPK1MEN1KMT2APOLBTP53
SCHEMBL3132145 0.77 TDP1 (0.64) TDP1MAPK1SMPD1NR1H4NPC1
SCHEMBL11429666 0.77 CA12 (0.46) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL15595938 0.77 TDP1 (0.47) TDP1MAPK1SMPD1ROCK2ROCK1
SCHEMBL9768401 0.77 PRMT5 (0.52) ROCK2ROCK1POLBLMNA
SCHEMBL25616690 0.77 TSHR (0.50) PKMLMNAMAPT
SCHEMBL8917380 0.76 ALDH1A1 (0.45) TDP1MAPK1SMPD1ROCK2ROCK1
SCHEMBL25022849 0.76 TAS1R3 (0.56) SMPD1ROCK2NR1H4TAS1R3TAS1R1

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