SCHEMBL10503940

SCHEMBL10503940

CSc1ccccc1OCC(O)CNC(C)(C)CNC(=O)CCCCO[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 12/20 0.41
▸ ADRB1 P08588 9/20 0.41
▸ CASR P41180 2/20 0.40
▸ ADRB3 P13945 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL10505383 0.97 ADRB2 (0.42) ADRB2ADRB1CASRADRB3MEN1
SCHEMBL10592973 0.89 CASR (0.49) ADRB2ADRB1CASRADRB3MEN1
SCHEMBL10503702 0.86 CYP2D6 (0.49) ADRB2ADRB1CASRADRB3
SCHEMBL10592451 0.86 ADRB2 (0.41) ADRB2ADRB1CASRADRB3MEN1
SCHEMBL10593339 0.86 ADRB2 (0.47) ADRB2ADRB1CASRADRB3
SCHEMBL10592061 0.86 CASR (0.50) ADRB2ADRB1CASRADRB3MEN1
SCHEMBL10594588 0.86 CYP2D6 (0.45) ADRB2ADRB1CASRADRB3MEN1
SCHEMBL10504063 0.85 HTR1A (0.55) ADRB2ADRB1CASRADRB3MEN1
SCHEMBL10503951 0.85 GRK3 (0.40) ADRB2ADRB1CASRADRB3MEN1
SCHEMBL10504326 0.85 ADRB2 (0.51) 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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