SCHEMBL7647352

SCHEMBL7647352

CN(CCc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
SIGMAR1 Q99720 2/20 0.47
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
HTT P42858 1/20 0.44
MAOB P27338 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL30408067 1.00 ALDH1A1 (0.48) ALDH1A1SIGMAR1BCHEACHEHTT
SCHEMBL2061458 0.88 ALDH1A1 (0.49) ALDH1A1SIGMAR1BCHEACHEHTT
SCHEMBL31226732 0.82 ALDH1A1 (0.43) ALDH1A1HTTNPSR1KMT2AMEN1
SCHEMBL28779524 0.81 ALDH1A1 (0.57) ALDH1A1SIGMAR1BCHEACHETSHR
SCHEMBL7651312 0.80 HTR1A (0.47) NPC1RAB9A
SCHEMBL30658955 0.79 GPR35 (0.45) ALDH1A1SIGMAR1BCHEACHEHTT
SCHEMBL6674384 0.79 TDP1 (0.45) ALDH1A1BCHEACHEHTTTSHR
SCHEMBL27274797 0.79 GPR35 (0.45) ALDH1A1SIGMAR1BCHEACHEHTT
SCHEMBL2189394 0.79 TAAR1 (0.54) HTTTSHRNPSR1KMT2AMEN1
SCHEMBL7647720 0.79 SIGMAR1 (0.42) SIGMAR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923539-B1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK AS (DK) 2002-06-05 EP disclosed
EP-1184370-A2 Compounds with growth hormone releasing properties NOVO NORDISK A/S (DK) 2002-03-06 EP disclosed
US-6274584-B1 PEPTIDE DERIVATIVES; BIOAVAILABILITY; ENZYME RESISTANCE; MILK AND WOOL PRODUCTION NOVO NORDISK A/S (DK) 2001-08-14 US disclosed
US-6127354-A FOR TREATMENT OF GROWTH DISORDERS OR TO STIMULATE PRODUCTION OF WOOL OR MILK NOVO NORDISK A/S (DK) 2000-10-03 US disclosed
US-5922770-A NOVEL COMPOUNDS THAT STIMULATE THE RELEASE OF GROWTH HORMONE FROM THE PITUITARY NOVO NORDISK A/S (DK) 1999-07-13 US disclosed
EP-0923539-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1999-06-23 EP disclosed
WO-1998003473-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1998-01-29 WO disclosed