SCHEMBL8566962

SCHEMBL8566962

CCOC(=O)[C@@H]1CNc2cc([N+](=O)[O-])ccc2C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ADRA2A P08913 1/20 0.43
PNMT P11086 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
CACNA1C Q13936 4/20 0.40

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
SCHEMBL8566956 1.00 MAPT (0.49) MAPTALDH1A1KMT2AGAAPOLB
SCHEMBL8566960 1.00 MAPT (0.49) MAPTALDH1A1KMT2AGAAPOLB
SCHEMBL27693463 0.82 MAPT (0.46) MAPTALDH1A1KMT2AGAAPOLB
SCHEMBL16135451 0.82 MAPT (0.46) MAPTALDH1A1KMT2AGAAPOLB
SCHEMBL17248041 0.79 MAPT (0.54) MAPTALDH1A1KMT2AGAAPOLB
SCHEMBL10528568 0.78 ALDH1A1 (0.58) MAPTALDH1A1KMT2AGAAPOLB
SCHEMBL8567784 0.77 MTNR1A (0.49) MAPTALDH1A1KMT2A
SCHEMBL431522 0.77 MTNR1A (0.49) MAPTALDH1A1KMT2A
SCHEMBL8567787 0.77 MTNR1A (0.49) MAPTALDH1A1KMT2A
SCHEMBL30576465 0.77 MTNR1A (0.49) MAPTALDH1A1KMT2A

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
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed
EP-0702004-A2 2,9-diamino- and 2-amino-8-carbamoyl-4-hydroxy-alkanoic acid amid derivatives CIBA-GEIGY AG (CH) 1996-03-20 EP disclosed