SCHEMBL10504268

SCHEMBL10504268

CC(C)(CNC(=O)CCCO[N+](=O)[O-])NCC(O)COc1cccc2[nH]c(=O)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 8/20 0.44
▸ ADRB1 P08588 5/20 0.44
▸ CYP1A2 P05177 3/20 0.44
▸ ADRB3 P13945 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ CYP2D6 P10635 6/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ SLC6A2 P23975 2/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ CASR P41180 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41

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
SCHEMBL10593609 0.89 L3MBTL1 (0.40) ADRB2ADRB1CYP1A2ADRB3MEN1
SCHEMBL10503050 0.89 ADRB2 (0.43) ADRB2ADRB1CYP1A2ADRB3MEN1
SCHEMBL10504801 0.89 SLC6A2 (0.51) ADRB2ADRB1CYP1A2ADRB3MEN1
SCHEMBL10593255 0.87 L3MBTL1 (0.40) ADRB2ADRB1CYP1A2ADRB3MEN1
SCHEMBL10503082 0.86 CYP2D6 (0.61) ADRB2ADRB1CYP1A2ADRB3MEN1
SCHEMBL10592256 0.86 CYP2D6 (0.49) ADRB2ADRB1CYP1A2ADRB3MEN1
SCHEMBL10503765 0.85 ADRB3 (0.40) ADRB2ADRB1ADRB3KMT2ALMNA
SCHEMBL10505596 0.85 CYP2D6 (0.46) ADRB2ADRB1CYP1A2ADRB3MEN1
SCHEMBL10506715 0.84 CYP2D6 (0.61) ADRB2ADRB1CYP1A2ADRB3MEN1
SCHEMBL10594731 0.84 CYP2D6 (0.48) ADRB2ADRB1CYP1A2ADRB3MEN1

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 3 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
EP-0200915-A1 Aminopropanol derivatives, process for their preparation, their use and medicines containing them Roche Diagnostics GmbH (DE) 1986-11-12 — — EP disclosed
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