SCHEMBL10504024

SCHEMBL10504024

O=C(CCCO[N+](=O)[O-])NCCNCC(O)COc1cccc2c1OCCC2

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 12/20 0.41
▸ ADRB1 P08588 12/20 0.41
▸ ADRB3 P13945 2/20 0.35
▸ MTNR1A P48039 1/20 0.35

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
SCHEMBL10595545 0.88 HTR1A (0.42) ADRB2ADRB1ADRB3
SCHEMBL10505428 0.79 ADRB1 (0.41) ADRB2ADRB1ADRB3
SCHEMBL10503910 0.78 ADRB1 (0.40) ADRB2ADRB1ADRB3
SCHEMBL10504729 0.77 ADRB1 (0.54) ADRB2ADRB1ADRB3
SCHEMBL10505162 0.77 ADRB1 (0.47) ADRB2ADRB1ADRB3
SCHEMBL10503927 0.77 ADRB3 (0.51) ADRB2ADRB1ADRB3
SCHEMBL10593355 0.77 ADRB2 (0.41) ADRB2ADRB1ADRB3
SCHEMBL10592625 0.76 ADRB1 (0.55) ADRB2ADRB1ADRB3
SCHEMBL10505246 0.76 HTR1A (0.48) ADRB2ADRB1ADRB3
SCHEMBL10505367 0.76 ADRB2 (0.41) ADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0200915-B1 AMINOPROPANOL DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM Roche Diagnostics GmbH (DE) 1989-09-27 — — EP disclosed
US-4863949-A CARDIOVASCULAR DISORDER TREATMENT BOEHRINGER MANNHEIM GMBH (DE) 1989-09-05 — — US disclosed
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