SCHEMBL10865569

SCHEMBL10865569

C=CCc1ccccc1OCC(O)CNCCNC(=O)CSCCO[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 17/20 0.55
▸ HTR1A P08908 9/20 0.55
▸ ALDH1A1 P00352 1/20 0.48
▸ ADRB1 P08588 6/20 0.46
▸ LMNA P02545 2/20 0.46
▸ ADRB3 P13945 2/20 0.46
▸ ADRA2C P18825 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ BDKRB2 P30411 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL10503675 0.87 ADRB2 (0.58) ADRB2HTR1AALDH1A1ADRB1LMNA
SCHEMBL10503979 0.84 ADRB2 (0.52) ADRB2HTR1AALDH1A1ADRB1LMNA
SCHEMBL10505297 0.83 ADRB1 (0.59) ADRB2ADRB1ADRB3CYP1A2KDM4E
SCHEMBL10865572 0.82 ADRB2 (0.55) ADRB2HTR1AALDH1A1ADRB1LMNA
SCHEMBL10505526 0.81 HTR1A (0.46) ADRB2HTR1AADRB1ADRB3SLC6A2
SCHEMBL10592520 0.80 ADRB2 (0.52) ADRB2HTR1AALDH1A1ADRB1LMNA
SCHEMBL10503080 0.80 ADRB2 (0.57) ADRB2HTR1AALDH1A1ADRB1LMNA
SCHEMBL10504871 0.79 ADRB3 (0.49) ADRB2HTR1AALDH1A1ADRB1LMNA
SCHEMBL10503373 0.79 ADRB2 (0.49) ADRB2HTR1AALDH1A1ADRB1LMNA
SCHEMBL10503528 0.78 ADRB2 (0.47) ADRB2HTR1AADRB1LMNASLC6A4

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-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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