SCHEMBL10936166

SCHEMBL10936166

CCOC(=O)CC(C)NCC(O)COc1ccc(O)cc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 7/20 0.62
▸ ADRB2 P07550 5/20 0.62
▸ ADRB1 P08588 3/20 0.62
▸ PTGS1 P23219 1/20 0.61
▸ SLC6A2 P23975 1/20 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
SCHEMBL11226933 0.84 ADRB2 (0.66) ADRB3ADRB2ADRB1PTGS1SLC6A2
SCHEMBL11718737 0.82 ADRB2 (0.43) ADRB3ADRB2ADRB1
SCHEMBL11718729 0.82 ADRB2 (0.43) ADRB3ADRB2ADRB1
SCHEMBL11284468 0.81 PTGS1 (0.79) ADRB3ADRB2ADRB1PTGS1SLC6A2
SCHEMBL6321893 0.77 ADRB2 (0.65) ADRB3ADRB2ADRB1
SCHEMBL6321887 0.77 ADRB2 (0.65) ADRB3ADRB2ADRB1
Prenalterol SCHEMBL249753 0.77 PTGS1 (1.00) ADRB3ADRB2ADRB1PTGS1SLC6A2
Prenalterol SCHEMBL10788435 0.77 PTGS1 (1.00) ADRB3ADRB2ADRB1PTGS1SLC6A2
Prenalterol SCHEMBL10816429 0.77 PTGS1 (1.00) ADRB3ADRB2ADRB1PTGS1SLC6A2
SCHEMBL11066158 0.77 ADRB3 (0.58) ADRB3ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4336267-A Heart active compounds and methods of use AKTIEBOLAGET HASSLE (SE) 1982-06-22 — — US claimed
EP-0041492-B1 NEW SUBSTITUTED 3-PHENOXY-1-ALKOXYCARBONYL-ALKYLAMINO-PROPANOL-2-S HAVING BETA RECEPTOR BLOCKING PROPERTIES Aktiebolaget Hässle (SE) 1985-03-20 — — EP disclosed
US-4336267-A Heart active compounds and methods of use AKTIEBOLAGET HASSLE (SE) 1982-06-22 — — US disclosed
US-4244969-A (P-HYDROXYPHENOXY)PROPANOLAMINE DERIVATIVES USEFUL AS B-RECEPTOR STIMULANTS AKTIEBOLAGET HASSLE (SE) 1981-01-13 — — US disclosed
Send feedback