SCHEMBL8559213

SCHEMBL8559213

COCCCC(C)NC[C@H](O)c1ccc(O)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 10/20 0.61
▸ MAPT P10636 7/20 0.61
▸ TDP1 Q9NUW8 6/20 0.61
▸ KDM4E B2RXH2 6/20 0.61
▸ ADRB1 P08588 4/20 0.61
▸ TSHR P16473 4/20 0.61
▸ MAPK1 P28482 4/20 0.61
▸ HSD17B10 Q99714 4/20 0.61
▸ MEN1 O00255 4/20 0.61
▸ KMT2A Q03164 4/20 0.61
▸ ADRB3 P13945 3/20 0.61
▸ MTOR P42345 3/20 0.61
▸ CYP1A2 P05177 3/20 0.61
▸ CYP3A4 P08684 3/20 0.61
▸ HIF1A Q16665 3/20 0.61
▸ ADRA1A P35348 3/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ ADORA3 P0DMS8 2/20 0.61
▸ DRD2 P14416 2/20 0.61
▸ ADRA1D P25100 2/20 0.61

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
SCHEMBL8559210 1.00 ADRB2 (0.61) ADRB2MAPTTDP1KDM4EADRB1
Oxalic Acid SCHEMBL8564309 0.94 ADRB2 (0.56) ADRB2MAPTTDP1KDM4EADRB1
Oxalic Acid SCHEMBL8564305 0.94 ADRB2 (0.56) ADRB2MAPTTDP1KDM4EADRB1
SCHEMBL8563377 0.92 ADRB2 (0.64) ADRB2MAPTTDP1KDM4EADRB1
SCHEMBL8563374 0.92 ADRB2 (0.64) ADRB2MAPTTDP1KDM4EADRB1
Oxalic Acid SCHEMBL8563561 0.86 ADRB2 (0.58) ADRB2MAPTTDP1KDM4EADRB1
Oxalic Acid SCHEMBL8633452 0.86 ADRB2 (0.58) ADRB2MAPTTDP1KDM4EADRB1
SCHEMBL8564322 0.82 ADRA1A (0.39) ADRB2MAPTTDP1KDM4EADRB1
SCHEMBL8562119 0.82 ADRB2 (0.61) ADRB2MAPTTDP1KDM4EADRB1
SCHEMBL8562122 0.82 ADRB2 (0.61) ADRB2MAPTTDP1KDM4EADRB1

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-5775329-A DERIVATIVES OF NOREPINEPHRINE USED TO STIMULATE EXERCISE STRESS AND ITS EFFECTS ON THE HEART. GENSIA, INC. (US) 1998-07-07 — — US claimed
US-5775329-A DERIVATIVES OF NOREPINEPHRINE USED TO STIMULATE EXERCISE STRESS AND ITS EFFECTS ON THE HEART. GENSIA, INC. (US) 1998-07-07 — — US disclosed
US-5756730-A Process for preparing analgesic compounds SANKYO COMPANY, LIMITED (JP) 1998-05-26 — — US disclosed
US-5656758-A AMIDATION OF AN AMINE-CONTAINING THIOMORPHOLINE OR PIPERAZINE COMPOUND SANKYO COMPANY, LIMITED (JP) 1997-08-12 — — US disclosed
US-5512567-A KAPPA-RECEPTOR AGONISTS SANKYO COMPANY, LIMITED (JP) 1996-04-30 — — US disclosed
US-5270327-A Piperidine derivatives SANKYO COMPANY, LIMITED (JP) 1993-12-14 — — US disclosed
EP-0356247-B1 ANALGESIC CARBOXYLIC ACID AMIDE DERIVATIVES Sankyo Company Limited (JP) 1993-03-17 — — EP disclosed
US-5021413-A Analgesic thiomorpholins their preparation, and pharmaceutical compositions containing them SANKYO COMPANY LIMITED (JP) 1991-06-04 — — US disclosed
EP-0356247-A1 Analgesic carboxylic acid amide derivatives Sankyo Company Limited (JP) 1990-02-28 — — EP disclosed
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