SCHEMBL21765807

SCHEMBL21765807

CC(C)NCCC(C)OCCO

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
ADRB2 P07550 1/20 0.31

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
SCHEMBL22703582 0.83 HTR1B (0.34) ALDH1A1ADRB2
SCHEMBL7715344 0.83 CHRNB2 (0.30)
SCHEMBL23486852 0.81 SLC6A2 (0.32)
SCHEMBL26274159 0.79
SCHEMBL14140319 0.77
SCHEMBL13369384 0.77
SCHEMBL16213683 0.76 LMNA (0.38)
SCHEMBL28696679 0.74 HTR1B (0.33) ALDH1A1ADRB2
SCHEMBL19823463 0.74 HTR1B (0.33) ALDH1A1ADRB2
SCHEMBL1003837 0.73

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
WO-2020039051-A1 ACYLATED CALCITONIN MIMETICS KEY BIOSCIENCE AG (CH) 2020-02-27 WO disclosed