SCHEMBL11229692

SCHEMBL11229692

NCc1ccc(CC(N)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABAT P80404 1/20 0.50
HRH3 Q9Y5N1 1/20 0.48
TAAR1 Q96RJ0 4/20 0.46
SLC6A2 P23975 2/20 0.46
LOXL2 Q9Y4K0 4/20 0.46
F10 P00742 1/20 0.43
F11 P03951 1/20 0.43
SLC6A3 Q01959 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
SCHEMBL6575823 0.89 TAAR1 (0.48) TAAR1SLC6A2SLC6A3
SCHEMBL19661348 0.82 ABAT (0.52) ABATHRH3TAAR1SLC6A2LOXL2
SCHEMBL21632218 0.80 TAAR1 (0.64) ABATTAAR1SLC6A2
SCHEMBL21357615 0.80 TAAR1 (0.64) ABATTAAR1SLC6A2
SCHEMBL10876390 0.80 GFER (0.48) TAAR1SLC6A2LOXL2
SCHEMBL1048764 0.80 TAAR1 (0.64) ABATTAAR1SLC6A2
Hydrochloric Acid SCHEMBL10616562 0.78 TAAR1 (0.61) ABATTAAR1SLC6A2
SCHEMBL1239401 0.78 TRPA1 (0.50) TAAR1SLC6A2LOXL2
SCHEMBL10763436 0.78 SLC6A4 (0.67) TAAR1SLC6A2SLC6A3
Sulfuric Acid SCHEMBL7639969 0.78 SLC7A5 (0.41) TAAR1SLC6A2

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-0013592-B1 N,N-DISUBSTITUTED-AMINOMETHYL-PHENYLETHANOLAMINES AND PHARMACEUTICAL FORMULATIONS THEREOF PFIZER INC. (US) 1982-12-15 EP disclosed
EP-0013592-A1 N,N-disubstituted-aminomethyl-phenylethanolamines and pharmaceutical formulations thereof PFIZER INC. (US) 1980-07-23 EP disclosed