SCHEMBL10505401

SCHEMBL10505401

Cc1c(S)cccc1OCC(O)CNC(C)(C)CNC(=O)CCCO[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 12/20 0.40
▸ ADRB1 P08588 8/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CASR P41180 1/20 0.39
▸ GRK3 P35626 2/20 0.39
▸ ADRB3 P13945 2/20 0.38
▸ NMT2 O60551 1/20 0.38
▸ NMT1 P30419 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL10503951 0.97 GRK3 (0.40) ADRB2ADRB1L3MBTL1CASRGRK3
SCHEMBL10594588 0.89 CYP2D6 (0.45) ADRB2ADRB1CASRADRB3MEN1
SCHEMBL10592061 0.87 CASR (0.50) ADRB2ADRB1CASRADRB3MEN1
SCHEMBL10505383 0.85 ADRB2 (0.42) ADRB2ADRB1CASRADRB3MEN1
SCHEMBL10594410 0.85 ADRB2 (0.42) ADRB2ADRB1CASRADRB3MEN1
SCHEMBL10592973 0.85 CASR (0.49) ADRB2ADRB1CASRGRK3ADRB3
SCHEMBL10595580 0.84 ADRB2 (0.41) ADRB2ADRB1CASRADRB3
SCHEMBL10503702 0.84 CYP2D6 (0.49) ADRB2ADRB1CASRADRB3CYP1A2
SCHEMBL10503937 0.84 HTR1A (0.56) ADRB2ADRB1CASRADRB3MEN1
SCHEMBL10504801 0.84 SLC6A2 (0.51) ADRB2ADRB1CASRADRB3MEN1

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 1 patent. 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
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